(2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid

C18H25NO4 — CID 119367577

IUPAC(2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid
SMILESCC(OC1CCCCCC1)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C18H25NO4/c1-13(23-15-11-7-2-3-8-12-15)17(20)19-16(18(21)22)14-9-5-4-6-10-14/h4-6,9-10,13,15-16H,2-3,7-8,11-12H2,1H3,(H,19,20)(H,21,22)/t13?,16-/m1/s1
InChIKeyGQQOQZSXIFGMNZ-FQNRMIAFSA-N
MW319.40 g/mol
LogP3.06
Rot. Bonds6

About (2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid

(2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid (PubChem CID 119367577) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid
PubChem CID119367577
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid
SMILESCC(OC1CCCCCC1)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C18H25NO4/c1-13(23-15-11-7-2-3-8-12-15)17(20)19-16(18(21)22)14-9-5-4-6-10-14/h4-6,9-10,13,15-16H,2-3,7-8,11-12H2,1H3,(H,19,20)(H,21,22)/t13?,16-/m1/s1
InChIKeyGQQOQZSXIFGMNZ-FQNRMIAFSA-N
XLogP3.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2S)-2-(2-cycloheptyloxypropanoylamino)-4-methylpentanoic acid
CID 119360863
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
4-[[carboxy(phenyl)methyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498245
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
CID 61197265
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2S)-2-[(1-methylcyclohexyl)carbamoylamino]-2-phenylacetic acid
CID 104899019
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
2-[[(2S)-2-(deuterioamino)propanoyl]amino]-2-phenylacetic acid
CID 142690110

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid (CID 119367577) is (2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid is CC(OC1CCCCCC1)C(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid?
The InChIKey is GQQOQZSXIFGMNZ-FQNRMIAFSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13(23-15-11-7-2-3-8-12-15)17(20)19-16(18(21)22)14-9-5-4-6-10-14/h4-6,9-10,13,15-16H,2-3,7-8,11-12H2,1H3,(H,19,20)(H,21,22)/t13?,16-/m1/s1.
What are the key properties of (2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid?
(2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid has a molecular weight of 319.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid is sourced from PubChem (CID 119367577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).