2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide

C13H19N3O3 — CID 107861017

IUPAC2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
SMILESNC(=O)CC(N)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H19N3O3/c14-11(7-12(15)18)13(19)16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,17H,6-8,14H2,(H2,15,18)(H,16,19)/t10-,11?/m1/s1
InChIKeyCILZRGNISIPCGU-NFJWQWPMSA-N
MW265.31 g/mol
LogP-1.09
Rot. Bonds7

About 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide

2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide (PubChem CID 107861017) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
PubChem CID107861017
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
SMILESNC(=O)CC(N)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H19N3O3/c14-11(7-12(15)18)13(19)16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,17H,6-8,14H2,(H2,15,18)(H,16,19)/t10-,11?/m1/s1
InChIKeyCILZRGNISIPCGU-NFJWQWPMSA-N
XLogP-1.09
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18341314
2-[[4-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid
CID 22658114
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid
CID 22657566
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid
CID 22657420
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoic acid
CID 22658154
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
CID 22657360
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
CID 63261191
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
CID 107860995
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
3-amino-4-oxo-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 54308046
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide?
The IUPAC name of 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide (CID 107861017) is 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide?
The canonical SMILES for 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide is NC(=O)CC(N)C(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide?
The InChIKey is CILZRGNISIPCGU-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-11(7-12(15)18)13(19)16-10(8-17)6-9-4-2-1-3-5-9/h1-5,10-11,17H,6-8,14H2,(H2,15,18)(H,16,19)/t10-,11?/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide?
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide has a molecular weight of 265.31 g/mol, XLogP of -1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide is sourced from PubChem (CID 107861017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).