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

C8H16N2O4 — CID 22057595

IUPAC2-amino-5-(1-carboxyethylamino)pentanoic acid
SMILESCC(NCCCC(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)
InChIKeyDEGCDQUOHKYOQM-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.76
Rot. Bonds7

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

2-amino-5-(1-carboxyethylamino)pentanoic acid (PubChem CID 22057595) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-5-(1-carboxyethylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(1-carboxyethylamino)pentanoic acid
PubChem CID22057595
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-amino-5-(1-carboxyethylamino)pentanoic acid
SMILESCC(NCCCC(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)
InChIKeyDEGCDQUOHKYOQM-UHFFFAOYSA-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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Related Compounds

2-(4-aminopentylamino)propanoic acid
CID 142180855
(2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid
CID 118054974
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
2-(pentylamino)propanoic acid
CID 43467235
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
4-amino-7-(diaminomethylamino)-2-methylheptan-3-one
CID 148543168
2-(dodecylamino)propanoic acid;hydrazine
CID 174949579
2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid
CID 71340750
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-carboxyethylamino)pentanoic acid?
The IUPAC name of 2-amino-5-(1-carboxyethylamino)pentanoic acid (CID 22057595) is 2-amino-5-(1-carboxyethylamino)pentanoic acid.
What is the SMILES notation for 2-amino-5-(1-carboxyethylamino)pentanoic acid?
The canonical SMILES for 2-amino-5-(1-carboxyethylamino)pentanoic acid is CC(NCCCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-5-(1-carboxyethylamino)pentanoic acid?
The InChIKey is DEGCDQUOHKYOQM-UHFFFAOYSA-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).
What are the key properties of 2-amino-5-(1-carboxyethylamino)pentanoic acid?
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 2-amino-5-(1-carboxyethylamino)pentanoic acid is sourced from PubChem (CID 22057595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).