(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide

C16H30N4O3 — CID 166893083

IUPAC(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
SMILESCC[C@H](NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](N)C(C)(C)C)C(N)=O
InChIInChI=1S/C16H30N4O3/c1-5-10(13(18)21)19-14(22)11(8-9-6-7-9)20-15(23)12(17)16(2,3)4/h9-12H,5-8,17H2,1-4H3,(H2,18,21)(H,19,22)(H,20,23)/t10-,11-,12+/m0/s1
InChIKeyQCEUROSEQCWTOD-SDDRHHMPSA-N
MW326.44 g/mol
LogP0.02
Rot. Bonds8

About (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide (PubChem CID 166893083) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
PubChem CID166893083
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
SMILESCC[C@H](NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](N)C(C)(C)C)C(N)=O
InChIInChI=1S/C16H30N4O3/c1-5-10(13(18)21)19-14(22)11(8-9-6-7-9)20-15(23)12(17)16(2,3)4/h9-12H,5-8,17H2,1-4H3,(H2,18,21)(H,19,22)(H,20,23)/t10-,11-,12+/m0/s1
InChIKeyQCEUROSEQCWTOD-SDDRHHMPSA-N
XLogP0.02
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 103929498
2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
CID 76893105
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide
CID 123375259
2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
CID 103930317
2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
CID 76894181
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-cyclohexylpropanoyl]amino]-6-aminohexanamide
CID 175961701
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
(2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide
CID 10461912
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667
2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-[[2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 23424270
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119809042

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide (CID 166893083) is (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide is CC[C@H](NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](N)C(C)(C)C)C(N)=O.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is QCEUROSEQCWTOD-SDDRHHMPSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-5-10(13(18)21)19-14(22)11(8-9-6-7-9)20-15(23)12(17)16(2,3)4/h9-12H,5-8,17H2,1-4H3,(H2,18,21)(H,19,22)(H,20,23)/t10-,11-,12+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 326.44 g/mol, XLogP of 0.02, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 166893083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).