2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid

C16H20N2O5 — CID 142159179

IUPAC2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
SMILESCc1ccc(COC(=O)N[C@@H]2CCCN(CC(=O)O)C2=O)cc1
InChIInChI=1S/C16H20N2O5/c1-11-4-6-12(7-5-11)10-23-16(22)17-13-3-2-8-18(15(13)21)9-14(19)20/h4-7,13H,2-3,8-10H2,1H3,(H,17,22)(H,19,20)/t13-/m1/s1
InChIKeyNFVVVVSHBXUNSS-CYBMUJFWSA-N
MW320.34 g/mol
LogP1.30
Rot. Bonds5

About 2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid

2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid (PubChem CID 142159179) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
PubChem CID142159179
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
SMILESCc1ccc(COC(=O)N[C@@H]2CCCN(CC(=O)O)C2=O)cc1
InChIInChI=1S/C16H20N2O5/c1-11-4-6-12(7-5-11)10-23-16(22)17-13-3-2-8-18(15(13)21)9-14(19)20/h4-7,13H,2-3,8-10H2,1H3,(H,17,22)(H,19,20)/t13-/m1/s1
InChIKeyNFVVVVSHBXUNSS-CYBMUJFWSA-N
XLogP1.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
tert-butyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 56630789
tert-butyl 2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 22946050
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid
CID 4712604
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
CID 23213435
2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetic acid
CID 10779565
benzyl N-[(3R)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate
CID 71228540
2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132
2-[3-(dimethylcarbamoylamino)-2-oxoazepan-1-yl]acetic acid
CID 22945879
2-[3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-oxoazepan-1-yl]acetic acid
CID 138056043
2-[(3S,5aS)-2-oxo-3-(phenylmethoxycarbonylamino)-3,4,5,5a,6,7,8,9-octahydropyrido[1,2-b]diazepin-1-yl]acetic acid
CID 22873112

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid (CID 142159179) is 2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid is Cc1ccc(COC(=O)N[C@@H]2CCCN(CC(=O)O)C2=O)cc1.
What is the InChIKey of 2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid?
The InChIKey is NFVVVVSHBXUNSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-11-4-6-12(7-5-11)10-23-16(22)17-13-3-2-8-18(15(13)21)9-14(19)20/h4-7,13H,2-3,8-10H2,1H3,(H,17,22)(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid?
2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid has a molecular weight of 320.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid is sourced from PubChem (CID 142159179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).