2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid

C10H16N2O5 — CID 57039499

IUPAC2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid
SMILESNC1CCCC1(N[C@H](C=O)CC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O5/c11-7-2-1-3-10(7,9(16)17)12-6(5-13)4-8(14)15/h5-7,12H,1-4,11H2,(H,14,15)(H,16,17)/t6-,7?,10?/m0/s1
InChIKeyQAJREVWVOBBEGG-MLMMTNJESA-N
MW244.25 g/mol
LogP-1.05
Rot. Bonds6

About 2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid

2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid (PubChem CID 57039499) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid
PubChem CID57039499
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid
SMILESNC1CCCC1(N[C@H](C=O)CC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O5/c11-7-2-1-3-10(7,9(16)17)12-6(5-13)4-8(14)15/h5-7,12H,1-4,11H2,(H,14,15)(H,16,17)/t6-,7?,10?/m0/s1
InChIKeyQAJREVWVOBBEGG-MLMMTNJESA-N
XLogP-1.05
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid (CID 57039499) is 2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid is NC1CCCC1(N[C@H](C=O)CC(=O)O)C(=O)O.
What is the InChIKey of 2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QAJREVWVOBBEGG-MLMMTNJESA-N. The full InChI is InChI=1S/C10H16N2O5/c11-7-2-1-3-10(7,9(16)17)12-6(5-13)4-8(14)15/h5-7,12H,1-4,11H2,(H,14,15)(H,16,17)/t6-,7?,10?/m0/s1.
What are the key properties of 2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid?
2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 57039499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).