(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid

C15H21N3O5 — CID 91245671

IUPAC(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid
SMILESCO[C@@](Cc1ccccc1C(N)=O)(NC(=O)C(C)(C)N)C(=O)O
InChIInChI=1S/C15H21N3O5/c1-14(2,17)12(20)18-15(23-3,13(21)22)8-9-6-4-5-7-10(9)11(16)19/h4-7H,8,17H2,1-3H3,(H2,16,19)(H,18,20)(H,21,22)/t15-/m1/s1
InChIKeyFTPDHVGOEHICSK-OAHLLOKOSA-N
MW323.35 g/mol
LogP-0.39
Rot. Bonds7

About (2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid

(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid (PubChem CID 91245671) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid
PubChem CID91245671
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid
SMILESCO[C@@](Cc1ccccc1C(N)=O)(NC(=O)C(C)(C)N)C(=O)O
InChIInChI=1S/C15H21N3O5/c1-14(2,17)12(20)18-15(23-3,13(21)22)8-9-6-4-5-7-10(9)11(16)19/h4-7H,8,17H2,1-3H3,(H2,16,19)(H,18,20)(H,21,22)/t15-/m1/s1
InChIKeyFTPDHVGOEHICSK-OAHLLOKOSA-N
XLogP-0.39
TPSA144.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide
CID 156768959
methyl 3-[(2-carbamoylphenyl)methylsulfanyl]-2-methylpropanoate
CID 66113999
2-(2-methoxy-2-methylpropyl)benzoic acid
CID 117111489
2-(2-amino-2-methylpropyl)benzoic acid
CID 175240257
(2S)-3-(2-carbamoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762267
1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone
CID 117112066
2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
2-(2-aminopropylsulfanylmethyl)benzamide
CID 66218202
2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide
CID 81189474
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid?
The IUPAC name of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid (CID 91245671) is (2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid is CO[C@@](Cc1ccccc1C(N)=O)(NC(=O)C(C)(C)N)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid?
The InChIKey is FTPDHVGOEHICSK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-14(2,17)12(20)18-15(23-3,13(21)22)8-9-6-4-5-7-10(9)11(16)19/h4-7H,8,17H2,1-3H3,(H2,16,19)(H,18,20)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid?
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid has a molecular weight of 323.35 g/mol, XLogP of -0.39, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid is sourced from PubChem (CID 91245671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).