2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide

C15H28N4O4 — CID 123375259

IUPAC2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide
SMILESCCC(NC(=O)C(NC(=O)C(N)CO)C1CCCCC1)C(N)=O
InChIInChI=1S/C15H28N4O4/c1-2-11(13(17)21)18-15(23)12(9-6-4-3-5-7-9)19-14(22)10(16)8-20/h9-12,20H,2-8,16H2,1H3,(H2,17,21)(H,18,23)(H,19,22)
InChIKeyFDQUWDLXXYKPHD-UHFFFAOYSA-N
MW328.41 g/mol
LogP-1.25
Rot. Bonds8

About 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide

2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide (PubChem CID 123375259) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide.

Molecular Properties

Compound Name2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide
PubChem CID123375259
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide
SMILESCCC(NC(=O)C(NC(=O)C(N)CO)C1CCCCC1)C(N)=O
InChIInChI=1S/C15H28N4O4/c1-2-11(13(17)21)18-15(23)12(9-6-4-3-5-7-9)19-14(22)10(16)8-20/h9-12,20H,2-8,16H2,1H3,(H2,17,21)(H,18,23)(H,19,22)
InChIKeyFDQUWDLXXYKPHD-UHFFFAOYSA-N
XLogP-1.25
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 5-1.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
CID 138624808
(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
2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide
CID 138527125
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-hydroxypropanoate
CID 126679555
(2S)-2-acetamido-2-cyclopentylacetamide
CID 177134286
(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide
CID 90253995
[(2R,3R)-1-[[(2S)-1-[[(1S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopentan-2-yl]-methylamino]-2-methyl-1-oxononan-3-yl] (2R)-2-[[(2S,3S)-3-hydroxy-2-methylbutanoyl]amino]propanoate
CID 155228365
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetate
CID 70702377
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
methyl (2S)-2-[[2-[(4-bromobenzoyl)amino]-2-cyclohexylacetyl]amino]-3-hydroxypropanoate
CID 154984691
3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid
CID 64895375
ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride
CID 156620479

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide?
The IUPAC name of 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide (CID 123375259) is 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide.
What is the SMILES notation for 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide?
The canonical SMILES for 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide is CCC(NC(=O)C(NC(=O)C(N)CO)C1CCCCC1)C(N)=O.
What is the InChIKey of 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide?
The InChIKey is FDQUWDLXXYKPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-2-11(13(17)21)18-15(23)12(9-6-4-3-5-7-9)19-14(22)10(16)8-20/h9-12,20H,2-8,16H2,1H3,(H2,17,21)(H,18,23)(H,19,22).
What are the key properties of 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide?
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide has a molecular weight of 328.41 g/mol, XLogP of -1.25, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide is sourced from PubChem (CID 123375259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).