(2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid

C10H19N3O6 — CID 129095324

IUPAC(2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid
SMILESNCCN[C@@H](CN[C@@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H19N3O6/c11-3-4-12-7(10(18)19)5-13-6(9(16)17)1-2-8(14)15/h6-7,12-13H,1-5,11H2,(H,14,15)(H,16,17)(H,18,19)/t6-,7-/m0/s1
InChIKeyAXPSLOVWCXOWCS-BQBZGAKWSA-N
MW277.28 g/mol
LogP-2.10
Rot. Bonds11

About (2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid

(2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid (PubChem CID 129095324) has the molecular formula C10H19N3O6 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid
PubChem CID129095324
Molecular FormulaC10H19N3O6
Molecular Weight277.28 g/mol
Exact Mass277.13
IUPAC Name(2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid
SMILESNCCN[C@@H](CN[C@@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H19N3O6/c11-3-4-12-7(10(18)19)5-13-6(9(16)17)1-2-8(14)15/h6-7,12-13H,1-5,11H2,(H,14,15)(H,16,17)(H,18,19)/t6-,7-/m0/s1
InChIKeyAXPSLOVWCXOWCS-BQBZGAKWSA-N
XLogP-2.10
TPSA161.98 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.28
LogP ≤ 5-2.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoropropylamino)pentanedioic acid
CID 174597642
(2S)-2-(3-fluoropropylamino)pentanedioic acid
CID 142782231
(2S)-2-(3-hydroxypropylamino)pentanedioic acid
CID 87223062
(2S)-2-(15-carboxypentadecylamino)pentanedioic acid
CID 90970159
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
2-[(3-methoxy-3-oxopropyl)amino]pentanedioic acid
CID 123728829
2-(2-cyanoethylamino)pentanedioic acid
CID 23424376
2-(2-sulfoethylamino)pentanedioic acid
CID 18425093
(2S)-2-(3-deuteriopropylamino)pentanedioic acid
CID 141245026
2-(6-aminohexylamino)decanedioic acid
CID 140815288
azane;2-(carboxymethylamino)pentanedioic acid;iron
CID 174849848
(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
CID 171935544

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid (CID 129095324) is (2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid is NCCN[C@@H](CN[C@@H](CCC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid?
The InChIKey is AXPSLOVWCXOWCS-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H19N3O6/c11-3-4-12-7(10(18)19)5-13-6(9(16)17)1-2-8(14)15/h6-7,12-13H,1-5,11H2,(H,14,15)(H,16,17)(H,18,19)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid?
(2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid has a molecular weight of 277.28 g/mol, XLogP of -2.10, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid is sourced from PubChem (CID 129095324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).