2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid

C10H16N2O5 — CID 22872771

IUPAC2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESN[C@@H](CC(=O)O)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H16N2O5/c11-6(4-8(13)14)9(15)12-7-3-1-2-5(7)10(16)17/h5-7H,1-4,11H2,(H,12,15)(H,13,14)(H,16,17)/t5?,6-,7?/m0/s1
InChIKeyNCVSBKLMPJRTAC-HUDPQJTASA-N
MW244.25 g/mol
LogP-0.84
Rot. Bonds5

About 2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid

2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 22872771) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID22872771
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESN[C@@H](CC(=O)O)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H16N2O5/c11-6(4-8(13)14)9(15)12-7-3-1-2-5(7)10(16)17/h5-7H,1-4,11H2,(H,12,15)(H,13,14)(H,16,17)/t5?,6-,7?/m0/s1
InChIKeyNCVSBKLMPJRTAC-HUDPQJTASA-N
XLogP-0.84
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid (CID 22872771) is 2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid is N[C@@H](CC(=O)O)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is NCVSBKLMPJRTAC-HUDPQJTASA-N. The full InChI is InChI=1S/C10H16N2O5/c11-6(4-8(13)14)9(15)12-7-3-1-2-5(7)10(16)17/h5-7H,1-4,11H2,(H,12,15)(H,13,14)(H,16,17)/t5?,6-,7?/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid?
2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-carboxypropanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 22872771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).