(2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid

C8H16N2O4 — CID 21130406

IUPAC(2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid
SMILESCC(NCCC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-5(7(11)12)10-4-2-3-6(9)8(13)14/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5?,6-/m0/s1
InChIKeyDEGCDQUOHKYOQM-GDVGLLTNSA-N
MW204.23 g/mol
LogP-0.76
Rot. Bonds7

About (2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid

(2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid (PubChem CID 21130406) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid
PubChem CID21130406
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid
SMILESCC(NCCC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-5(7(11)12)10-4-2-3-6(9)8(13)14/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5?,6-/m0/s1
InChIKeyDEGCDQUOHKYOQM-GDVGLLTNSA-N
XLogP-0.76
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid (CID 21130406) is (2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid is CC(NCCC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid?
The InChIKey is DEGCDQUOHKYOQM-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-5(7(11)12)10-4-2-3-6(9)8(13)14/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid?
(2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.76, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(1-carboxyethylamino)pentanoic acid is sourced from PubChem (CID 21130406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).