2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid

C14H18N2O3 — CID 103869512

IUPAC2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
SMILESN[C@H](C(=O)N(CC(=O)O)CC1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c15-13(11-4-2-1-3-5-11)14(19)16(9-12(17)18)8-10-6-7-10/h1-5,10,13H,6-9,15H2,(H,17,18)/t13-/m0/s1
InChIKeyXDIVOSJCKMXRTN-ZDUSSCGKSA-N
MW262.31 g/mol
LogP1.01
Rot. Bonds6

About 2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid

2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 103869512) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID103869512
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
SMILESN[C@H](C(=O)N(CC(=O)O)CC1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c15-13(11-4-2-1-3-5-11)14(19)16(9-12(17)18)8-10-6-7-10/h1-5,10,13H,6-9,15H2,(H,17,18)/t13-/m0/s1
InChIKeyXDIVOSJCKMXRTN-ZDUSSCGKSA-N
XLogP1.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 62878549
(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
CID 93193539
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
2-[(2-amino-2-phenylacetyl)-prop-2-ynylamino]acetic acid
CID 79273974
2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid
CID 43655362
2-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 76894221
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
2-amino-N-(cyclopropylmethyl)-N-ethyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668472
(2R)-2-amino-N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 63706468
2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
2-[cyclopropylmethyl(4-phenylsulfanylbutanoyl)amino]acetic acid
CID 43655413

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid (CID 103869512) is 2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid is N[C@H](C(=O)N(CC(=O)O)CC1CC1)c1ccccc1.
What is the InChIKey of 2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is XDIVOSJCKMXRTN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-13(11-4-2-1-3-5-11)14(19)16(9-12(17)18)8-10-6-7-10/h1-5,10,13H,6-9,15H2,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 103869512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).