(2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid

C11H15NO4 — CID 129107886

IUPAC(2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)C1C=CC=CC1C
InChIInChI=1S/C11H15NO4/c1-7-5-3-4-6-8(7)9(10(13)14)12-11(15)16-2/h3-9H,1-2H3,(H,12,15)(H,13,14)/t7?,8?,9-/m1/s1
InChIKeyKXZRDRYWQULALQ-AMDVSUOASA-N
MW225.24 g/mol
LogP1.17
Rot. Bonds3

About (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid

(2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid (PubChem CID 129107886) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid
PubChem CID129107886
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)C1C=CC=CC1C
InChIInChI=1S/C11H15NO4/c1-7-5-3-4-6-8(7)9(10(13)14)12-11(15)16-2/h3-9H,1-2H3,(H,12,15)(H,13,14)/t7?,8?,9-/m1/s1
InChIKeyKXZRDRYWQULALQ-AMDVSUOASA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid
CID 123154455
(2S)-2-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
CID 66746681
(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 86330213
2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid
CID 118505451
methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate
CID 126547608
(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
CID 66981887
2-(methoxycarbonylamino)-2-[4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]acetic acid
CID 123979037
(2S)-2-(methoxycarbonylamino)-2-[(2S)-oxan-2-yl]acetic acid
CID 129392106
2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid
CID 90299426
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-(6-methyl-3-bicyclo[3.1.0]hexanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 123626881
2-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 166728593

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid?
The IUPAC name of (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid (CID 129107886) is (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid.
What is the SMILES notation for (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid?
The canonical SMILES for (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid is COC(=O)N[C@@H](C(=O)O)C1C=CC=CC1C.
What is the InChIKey of (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid?
The InChIKey is KXZRDRYWQULALQ-AMDVSUOASA-N. The full InChI is InChI=1S/C11H15NO4/c1-7-5-3-4-6-8(7)9(10(13)14)12-11(15)16-2/h3-9H,1-2H3,(H,12,15)(H,13,14)/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid?
(2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid has a molecular weight of 225.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxycarbonylamino)-2-(6-methylcyclohexa-2,4-dien-1-yl)acetic acid is sourced from PubChem (CID 129107886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).