(2S)-2-(5-aminopentylamino)butanedioic acid

C9H18N2O4 — CID 122552658

IUPAC(2S)-2-(5-aminopentylamino)butanedioic acid
SMILESNCCCCCN[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C9H18N2O4/c10-4-2-1-3-5-11-7(9(14)15)6-8(12)13/h7,11H,1-6,10H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeySFWFUSXSDAMVNQ-ZETCQYMHSA-N
MW218.25 g/mol
LogP-0.37
Rot. Bonds9

About (2S)-2-(5-aminopentylamino)butanedioic acid

(2S)-2-(5-aminopentylamino)butanedioic acid (PubChem CID 122552658) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2S)-2-(5-aminopentylamino)butanedioic acid.

Molecular Properties

Compound Name(2S)-2-(5-aminopentylamino)butanedioic acid
PubChem CID122552658
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2S)-2-(5-aminopentylamino)butanedioic acid
SMILESNCCCCCN[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C9H18N2O4/c10-4-2-1-3-5-11-7(9(14)15)6-8(12)13/h7,11H,1-6,10H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeySFWFUSXSDAMVNQ-ZETCQYMHSA-N
XLogP-0.37
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.37
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

(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
CID 171935544
disodium;bis(2-aminoethanol);(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
CID 134693657
2-(decylamino)butanedioic acid
CID 11162902
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
(2S)-2-[6-(methylamino)hexylamino]butanedioic acid
CID 131850258
2-(dodecylamino)butanedioic acid;hydrochloride
CID 174594620
2-(6-aminohexylamino)decanedioic acid
CID 140815288
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
CID 174209954
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
2-(5-aminopentylamino)propanedioic acid
CID 88628628
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-aminopentylamino)butanedioic acid?
The IUPAC name of (2S)-2-(5-aminopentylamino)butanedioic acid (CID 122552658) is (2S)-2-(5-aminopentylamino)butanedioic acid.
What is the SMILES notation for (2S)-2-(5-aminopentylamino)butanedioic acid?
The canonical SMILES for (2S)-2-(5-aminopentylamino)butanedioic acid is NCCCCCN[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(5-aminopentylamino)butanedioic acid?
The InChIKey is SFWFUSXSDAMVNQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O4/c10-4-2-1-3-5-11-7(9(14)15)6-8(12)13/h7,11H,1-6,10H2,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(5-aminopentylamino)butanedioic acid?
(2S)-2-(5-aminopentylamino)butanedioic acid has a molecular weight of 218.25 g/mol, XLogP of -0.37, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-aminopentylamino)butanedioic acid is sourced from PubChem (CID 122552658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).