2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid

C16H24N2O4 — CID 70415204

IUPAC2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
SMILESCC(C)(CN)OC(=O)NC(CCCc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O4/c1-16(2,11-17)22-15(21)18-13(14(19)20)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDETPLBVVXKYAMN-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.93
Rot. Bonds8

About 2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid

2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid (PubChem CID 70415204) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
PubChem CID70415204
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
SMILESCC(C)(CN)OC(=O)NC(CCCc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O4/c1-16(2,11-17)22-15(21)18-13(14(19)20)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDETPLBVVXKYAMN-UHFFFAOYSA-N
XLogP1.93
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
(2S)-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 14390812
2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid
CID 174469456
(2S)-5-amino-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]-5-oxopentanoic acid
CID 153286593
(2R)-5-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 69270454
6-[(2-methylpropan-2-yl)oxy]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 15567309
2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-phenylpropanoic acid
CID 70500818
dibenzyl (2R,7R)-2,7-bis[(2-methylpropan-2-yl)oxycarbonylamino]octanedioate
CID 10886402
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenoxypentanoic acid
CID 10086647
2-methylbutan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 118638342
(2S)-2-acetamido-7-phenylheptanoic acid
CID 129362724

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid?
The IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid (CID 70415204) is 2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid?
The canonical SMILES for 2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid is CC(C)(CN)OC(=O)NC(CCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid?
The InChIKey is DETPLBVVXKYAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,11-17)22-15(21)18-13(14(19)20)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid?
2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid has a molecular weight of 308.38 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 70415204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).