3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid

C16H24N2O3 — CID 61161087

IUPAC3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)18(10-9-14(19)20)15(21)13(17)11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,19,20)
InChIKeyFMQRXNXRKJDCCL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.66
Rot. Bonds6

About 3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid

3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid (PubChem CID 61161087) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid
PubChem CID61161087
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)18(10-9-14(19)20)15(21)13(17)11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,19,20)
InChIKeyFMQRXNXRKJDCCL-UHFFFAOYSA-N
XLogP1.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-tert-butylamino]acetic acid
CID 104905324
3-[[(2S)-2-amino-4-methylpentanoyl]-tert-butylamino]propanoic acid
CID 61161091
6-[(2-amino-3-phenylpropanoyl)-methylamino]hexanoic acid
CID 70550691
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 78985588
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]-tert-butylamino]propanoic acid
CID 61161090
benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate
CID 121493861
3-[[(2S)-2-amino-3-methylbutanoyl]-tert-butylamino]propanoic acid
CID 61161092
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
tert-butyl N-amino-N-[(2R)-2-amino-3-phenylpropanoyl]carbamate
CID 154179314
3-[tert-butyl(1-phenylbutan-2-yl)amino]propanoic acid
CID 79008332

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid?
The IUPAC name of 3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid (CID 61161087) is 3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid.
What is the SMILES notation for 3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid?
The canonical SMILES for 3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid?
The InChIKey is FMQRXNXRKJDCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)18(10-9-14(19)20)15(21)13(17)11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,19,20).
What are the key properties of 3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid?
3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid is sourced from PubChem (CID 61161087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).