(3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid

C14H24N2O4 — CID 18605566

IUPAC(3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid
SMILESCC(COC(C1CC1)C1CC1)NC(=O)[C@@H](N)CC(=O)O
InChIInChI=1S/C14H24N2O4/c1-8(16-14(19)11(15)6-12(17)18)7-20-13(9-2-3-9)10-4-5-10/h8-11,13H,2-7,15H2,1H3,(H,16,19)(H,17,18)/t8?,11-/m0/s1
InChIKeyVJGLJXCVLAMXQJ-LYNSQETBSA-N
MW284.36 g/mol
LogP0.50
Rot. Bonds9

About (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid

(3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid (PubChem CID 18605566) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid
PubChem CID18605566
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid
SMILESCC(COC(C1CC1)C1CC1)NC(=O)[C@@H](N)CC(=O)O
InChIInChI=1S/C14H24N2O4/c1-8(16-14(19)11(15)6-12(17)18)7-20-13(9-2-3-9)10-4-5-10/h8-11,13H,2-7,15H2,1H3,(H,16,19)(H,17,18)/t8?,11-/m0/s1
InChIKeyVJGLJXCVLAMXQJ-LYNSQETBSA-N
XLogP0.50
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid 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

3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
(3S)-3-amino-4-oxo-4-[1-(3,3,5,5-tetramethylheptan-4-yloxy)propan-2-ylamino]butanoic acid
CID 18603717
(3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 18605572
3-amino-4-[1-(2-methylbutanoyloxy)propan-2-ylamino]-4-oxobutanoic acid
CID 75018262
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid
CID 64895375
(3S)-3-amino-4-[[(2R)-1-[[cyclobutyl(cyclopentyl)methyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 54502913
3-amino-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 64895300
3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
CID 103870481
2-amino-N-(1-cyclopropylpropan-2-yl)butanediamide;hydrochloride
CID 119957385
3-amino-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 22824551
3-(2-aminobutanoylamino)butanoic acid
CID 61159852

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid?
The IUPAC name of (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid (CID 18605566) is (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid is CC(COC(C1CC1)C1CC1)NC(=O)[C@@H](N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid?
The InChIKey is VJGLJXCVLAMXQJ-LYNSQETBSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-8(16-14(19)11(15)6-12(17)18)7-20-13(9-2-3-9)10-4-5-10/h8-11,13H,2-7,15H2,1H3,(H,16,19)(H,17,18)/t8?,11-/m0/s1.
What are the key properties of (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid?
(3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid is sourced from PubChem (CID 18605566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).