(2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid

C10H18N2O6 — CID 102061405

IUPAC(2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid
SMILESNCCCC(N[C@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m1/s1
InChIKeyUXZAXFPFSQRZOZ-COBSHVIPSA-N
MW262.26 g/mol
LogP-0.91
Rot. Bonds10

About (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid

(2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid (PubChem CID 102061405) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid
PubChem CID102061405
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name(2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid
SMILESNCCCC(N[C@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m1/s1
InChIKeyUXZAXFPFSQRZOZ-COBSHVIPSA-N
XLogP-0.91
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
8-[(4-amino-1-carboxybutyl)amino]-8-oxooctanoic acid
CID 118550134
8-[[(1S)-4-amino-1-carboxybutyl]amino]-8-oxooctanoic acid
CID 118550149
5-amino-2-(iodoamino)pentanoic acid
CID 146484863
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 177464935
(2S)-6-amino-2-[(1-carboxy-3-oxobutyl)amino]hexanoic acid
CID 175733875
2-(6-aminohexanoylamino)pentanedioic acid;ethane
CID 142985665
(2S)-6-amino-2-[[(2R)-2-amino-4-carboxybutanoyl]amino]hexanoic acid
CID 90943768
(2S)-2-(carbamoylamino)pentanedioic acid;zinc
CID 174598695
(2S)-2-(carbamoylamino)pentanedioic acid;copper
CID 159494539
(2S)-2-(carbamoylamino)pentanedioic acid;hydrate
CID 141207509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid?
The IUPAC name of (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid (CID 102061405) is (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid?
The canonical SMILES for (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid is NCCCC(N[C@H](CCC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid?
The InChIKey is UXZAXFPFSQRZOZ-COBSHVIPSA-N. The full InChI is InChI=1S/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid?
(2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid has a molecular weight of 262.26 g/mol, XLogP of -0.91, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid is sourced from PubChem (CID 102061405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).