2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid

C15H20N2O4 — CID 76894221

IUPAC2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
SMILESNC(Cc1ccc(O)cc1)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H20N2O4/c16-13(7-10-3-5-12(18)6-4-10)15(21)17(9-14(19)20)8-11-1-2-11/h3-6,11,13,18H,1-2,7-9,16H2,(H,19,20)
InChIKeyMJCIJFCOUPQHDE-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.59
Rot. Bonds7

About 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid

2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 76894221) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID76894221
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
SMILESNC(Cc1ccc(O)cc1)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H20N2O4/c16-13(7-10-3-5-12(18)6-4-10)15(21)17(9-14(19)20)8-11-1-2-11/h3-6,11,13,18H,1-2,7-9,16H2,(H,19,20)
InChIKeyMJCIJFCOUPQHDE-UHFFFAOYSA-N
XLogP0.59
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272186
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 103869710
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
CID 104905118
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-tert-butylamino]acetic acid
CID 104905324
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
CID 76894991
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512
2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
(2S)-2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-(2-methylpropyl)propanamide
CID 61163222
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-butan-2-ylamino]acetic acid
CID 61160929

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid (CID 76894221) is 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid is NC(Cc1ccc(O)cc1)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is MJCIJFCOUPQHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-13(7-10-3-5-12(18)6-4-10)15(21)17(9-14(19)20)8-11-1-2-11/h3-6,11,13,18H,1-2,7-9,16H2,(H,19,20).
What are the key properties of 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 76894221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).