2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid

C8H11NO2 — CID 87731809

IUPAC2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid
SMILESCC(NC1C=CC=C1)C(=O)O
InChIInChI=1S/C8H11NO2/c1-6(8(10)11)9-7-4-2-3-5-7/h2-7,9H,1H3,(H,10,11)
InChIKeyRUESBRXFGQQPQA-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.54
Rot. Bonds3

About 2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid

2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid (PubChem CID 87731809) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid
PubChem CID87731809
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid
SMILESCC(NC1C=CC=C1)C(=O)O
InChIInChI=1S/C8H11NO2/c1-6(8(10)11)9-7-4-2-3-5-7/h2-7,9H,1H3,(H,10,11)
InChIKeyRUESBRXFGQQPQA-UHFFFAOYSA-N
XLogP0.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 146679870
(2S)-2-[(1,6-dihydroxycyclohexa-2,4-dien-1-yl)amino]propanoic acid
CID 67326058
(2R)-2-[2-[(1S)-1-carboxyethyl]hydrazinyl]propanoic acid
CID 25136606
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767
2-(2-adamantylamino)propanoic acid
CID 61499688
[(1-Carboxyethyl)amino]oxidanyl
CID 165359193
(2S)-2-(iodoamino)propanoic acid
CID 54416510
2-[[(1S)-1-carboxyethyl]amino]propanedioic acid
CID 87604666
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid?
The IUPAC name of 2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid (CID 87731809) is 2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid.
What is the SMILES notation for 2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid?
The canonical SMILES for 2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid is CC(NC1C=CC=C1)C(=O)O.
What is the InChIKey of 2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid?
The InChIKey is RUESBRXFGQQPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(8(10)11)9-7-4-2-3-5-7/h2-7,9H,1H3,(H,10,11).
What are the key properties of 2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid?
2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid has a molecular weight of 153.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid is sourced from PubChem (CID 87731809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).