(2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid

C10H18N2O4 — CID 107825292

IUPAC(2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
SMILESNC(CC(=O)N[C@H](CCO)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c11-7(6-1-2-6)5-9(14)12-8(3-4-13)10(15)16/h6-8,13H,1-5,11H2,(H,12,14)(H,15,16)/t7?,8-/m1/s1
InChIKeyRQIPVAQOMBINKD-BRFYHDHCSA-N
MW230.26 g/mol
LogP-0.93
Rot. Bonds7

About (2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid (PubChem CID 107825292) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
PubChem CID107825292
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
SMILESNC(CC(=O)N[C@H](CCO)C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c11-7(6-1-2-6)5-9(14)12-8(3-4-13)10(15)16/h6-8,13H,1-5,11H2,(H,12,14)(H,15,16)/t7?,8-/m1/s1
InChIKeyRQIPVAQOMBINKD-BRFYHDHCSA-N
XLogP-0.93
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid
CID 107825179
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
CID 61244410
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
CID 61230073
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927
(2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid
CID 114005220
(2S)-4-hydroxy-2-[(2-sulfanylacetyl)amino]butanoic acid
CID 91260947
3-amino-3-cyclopropyl-N',N'-dimethylpropanehydrazide
CID 83020966
3-amino-3-cyclopropyl-N-(4-hydroxybutyl)propanamide
CID 106841999
(2S)-4-hydroxy-2-(3-oxobutanoylamino)butanoic acid
CID 54118201

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid (CID 107825292) is (2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid is NC(CC(=O)N[C@H](CCO)C(=O)O)C1CC1.
What is the InChIKey of (2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is RQIPVAQOMBINKD-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-7(6-1-2-6)5-9(14)12-8(3-4-13)10(15)16/h6-8,13H,1-5,11H2,(H,12,14)(H,15,16)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-3-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).