2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid

C17H24N2O6 — CID 70470056

IUPAC2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)C(N)CO
InChIInChI=1S/C17H24N2O6/c1-11(2)8-14(16(22)23)19(15(21)13(18)9-20)17(24)25-10-12-6-4-3-5-7-12/h3-7,11,13-14,20H,8-10,18H2,1-2H3,(H,22,23)
InChIKeyUYIUIMASZXPACY-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.97
Rot. Bonds8

About 2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid

2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid (PubChem CID 70470056) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
PubChem CID70470056
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)C(N)CO
InChIInChI=1S/C17H24N2O6/c1-11(2)8-14(16(22)23)19(15(21)13(18)9-20)17(24)25-10-12-6-4-3-5-7-12/h3-7,11,13-14,20H,8-10,18H2,1-2H3,(H,22,23)
InChIKeyUYIUIMASZXPACY-UHFFFAOYSA-N
XLogP0.97
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-3-phenylpropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
CID 70369106
2-[(2-amino-3-phenylpropanoyl)-butoxycarbonylamino]-4-methylpentanoic acid
CID 70043967
(2S)-2-[[(2S)-2-aminopropanoyl]-phenylmethoxycarbonylamino]-3-chloropropanoic acid
CID 70558855
CID 87647467
CID 87647467
(3S)-3-[(2-amino-4-methylpentanoyl)-phenylmethoxycarbonylamino]-4-oxobutanoic acid
CID 57320491
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate
CID 174607780
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
(2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid
CID 11744070
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
methyl (2S)-2-[bis[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 67739621
(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid
CID 69435084

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid (CID 70470056) is 2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid is CC(C)CC(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)C(N)CO.
What is the InChIKey of 2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid?
The InChIKey is UYIUIMASZXPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-11(2)8-14(16(22)23)19(15(21)13(18)9-20)17(24)25-10-12-6-4-3-5-7-12/h3-7,11,13-14,20H,8-10,18H2,1-2H3,(H,22,23).
What are the key properties of 2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid?
2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid has a molecular weight of 352.39 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-hydroxypropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 70470056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).