(1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid

C9H13NO4 — CID 10397857

IUPAC(1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid
SMILESNC(C(=O)O)[C@@H]1CC=CC[C@H]1C(=O)O
InChIInChI=1S/C9H13NO4/c10-7(9(13)14)5-3-1-2-4-6(5)8(11)12/h1-2,5-7H,3-4,10H2,(H,11,12)(H,13,14)/t5-,6-,7?/m1/s1
InChIKeyUSKGACUXCCEMJU-CQMSUOBXSA-N
MW199.21 g/mol
LogP0.07
Rot. Bonds3

About (1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid

(1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 10397857) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is (1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID10397857
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name(1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid
SMILESNC(C(=O)O)[C@@H]1CC=CC[C@H]1C(=O)O
InChIInChI=1S/C9H13NO4/c10-7(9(13)14)5-3-1-2-4-6(5)8(11)12/h1-2,5-7H,3-4,10H2,(H,11,12)(H,13,14)/t5-,6-,7?/m1/s1
InChIKeyUSKGACUXCCEMJU-CQMSUOBXSA-N
XLogP0.07
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-2-allyl-4-aminopentanedioic acid
CID 6323174
2-Amino-4-but-2-enyl-pentanedioic acid(LY339180)
CID 10774436
(2S,4R)-2-amino-4-[(Z)-pent-2-enyl]pentanedioic acid
CID 10536623
2-Amino-4-but-2-enyl-pentanedioic acid
CID 10559986
2-Amino-4-pent-2-enyl-pentanedioic acid
CID 10632449
2-Amino-4-(3-chloro-allyl)-pentanedioic acid
CID 10775370
Amino(cyclopent-2-en-1-yl)acetic acid
CID 336897
alpha-Amino-3-cyclohexene-1-acetic acid
CID 90911
2-Allyl-4-amino-pentanedioic acid
CID 5287396
2-Amino-4-(3-methyl-but-2-enyl)-pentanedioic acid
CID 10846340
(2S)-2-amino-3-cyclohexa-2,4-dien-1-ylpropanoic acid
CID 22797971
(1R,6R)-6-[amino(carboxy)methyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 10331319

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid (CID 10397857) is (1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid is NC(C(=O)O)[C@@H]1CC=CC[C@H]1C(=O)O.
What is the InChIKey of (1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is USKGACUXCCEMJU-CQMSUOBXSA-N. The full InChI is InChI=1S/C9H13NO4/c10-7(9(13)14)5-3-1-2-4-6(5)8(11)12/h1-2,5-7H,3-4,10H2,(H,11,12)(H,13,14)/t5-,6-,7?/m1/s1.
What are the key properties of (1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid?
(1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[amino(carboxy)methyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 10397857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).