3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid

C10H16N2O4 — CID 106109009

IUPAC3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C1C=CC(N)C1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-16-8(10(14)15)5-12-9(13)6-2-3-7(11)4-6/h2-3,6-8H,4-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyMTVZTCDDLYWGRX-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.89
Rot. Bonds5

About 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid

3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid (PubChem CID 106109009) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid
PubChem CID106109009
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C1C=CC(N)C1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-16-8(10(14)15)5-12-9(13)6-2-3-7(11)4-6/h2-3,6-8H,4-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyMTVZTCDDLYWGRX-UHFFFAOYSA-N
XLogP-0.89
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-hydroxy-3-methoxypropyl)cyclopent-2-ene-1-carboxamide
CID 79207720
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81078810
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526
4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide
CID 114137040
methyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 18538082
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
CID 79207585
4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide
CID 79207691
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
4-amino-N-pentylcyclopent-2-ene-1-carboxamide
CID 79211552
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107724
4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide
CID 79207622

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid (CID 106109009) is 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)C1C=CC(N)C1)C(=O)O.
What is the InChIKey of 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid?
The InChIKey is MTVZTCDDLYWGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-16-8(10(14)15)5-12-9(13)6-2-3-7(11)4-6/h2-3,6-8H,4-5,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid?
3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).