(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride

C12H17ClN2O3 — CID 129249183

IUPAC(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
SMILESC[C@@H](N)C(=O)N[C@H](CC(=O)O)c1ccccc1.Cl
InChIInChI=1S/C12H16N2O3.ClH/c1-8(13)12(17)14-10(7-11(15)16)9-5-3-2-4-6-9;/h2-6,8,10H,7,13H2,1H3,(H,14,17)(H,15,16);1H/t8-,10-;/m1./s1
InChIKeyNADLNOCMIKWDOH-GHXDPTCOSA-N
MW272.73 g/mol
LogP1.09
Rot. Bonds5

About (3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride

(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride (PubChem CID 129249183) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is (3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
PubChem CID129249183
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
SMILESC[C@@H](N)C(=O)N[C@H](CC(=O)O)c1ccccc1.Cl
InChIInChI=1S/C12H16N2O3.ClH/c1-8(13)12(17)14-10(7-11(15)16)9-5-3-2-4-6-9;/h2-6,8,10H,7,13H2,1H3,(H,14,17)(H,15,16);1H/t8-,10-;/m1./s1
InChIKeyNADLNOCMIKWDOH-GHXDPTCOSA-N
XLogP1.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
3-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoic acid
CID 61159314
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
3-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 61156736
(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
CID 119273389
3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
3-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61202418
N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide
CID 146220012
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
3-phenyl-3-(2-thiophen-3-ylpropanoylamino)propanoic acid
CID 75513225

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride?
The IUPAC name of (3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride (CID 129249183) is (3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride.
What is the SMILES notation for (3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride?
The canonical SMILES for (3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride is C[C@@H](N)C(=O)N[C@H](CC(=O)O)c1ccccc1.Cl.
What is the InChIKey of (3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride?
The InChIKey is NADLNOCMIKWDOH-GHXDPTCOSA-N. The full InChI is InChI=1S/C12H16N2O3.ClH/c1-8(13)12(17)14-10(7-11(15)16)9-5-3-2-4-6-9;/h2-6,8,10H,7,13H2,1H3,(H,14,17)(H,15,16);1H/t8-,10-;/m1./s1.
What are the key properties of (3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride?
(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride has a molecular weight of 272.73 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride is sourced from PubChem (CID 129249183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).