(2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid

C11H16N4O5 — CID 107497570

IUPAC(2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid
SMILESNCCn1cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1
InChIInChI=1S/C11H16N4O5/c12-3-4-15-5-8(13-6-15)10(18)14-7(11(19)20)1-2-9(16)17/h5-7H,1-4,12H2,(H,14,18)(H,16,17)(H,19,20)/t7-/m0/s1
InChIKeyUVRNPMHSKVJELI-ZETCQYMHSA-N
MW284.27 g/mol
LogP-1.11
Rot. Bonds8

About (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid

(2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid (PubChem CID 107497570) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid
PubChem CID107497570
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name(2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid
SMILESNCCn1cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1
InChIInChI=1S/C11H16N4O5/c12-3-4-15-5-8(13-6-15)10(18)14-7(11(19)20)1-2-9(16)17/h5-7H,1-4,12H2,(H,14,18)(H,16,17)(H,19,20)/t7-/m0/s1
InChIKeyUVRNPMHSKVJELI-ZETCQYMHSA-N
XLogP-1.11
TPSA147.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-methylsulfonylbutanoic acid
CID 107497485
6-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 107498996
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 107499094
1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
CID 107499731
1-(2-aminoethyl)-N-(2-methyl-1-phenylpropyl)imidazole-4-carboxamide
CID 107496348
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
3-[[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]methyl]-5-methylhexanoic acid
CID 107499022
1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
CID 107499654
1-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-carboxamide
CID 114158942
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]pentanedioic acid
CID 61152011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid (CID 107497570) is (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid is NCCn1cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1.
What is the InChIKey of (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid?
The InChIKey is UVRNPMHSKVJELI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N4O5/c12-3-4-15-5-8(13-6-15)10(18)14-7(11(19)20)1-2-9(16)17/h5-7H,1-4,12H2,(H,14,18)(H,16,17)(H,19,20)/t7-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid?
(2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid has a molecular weight of 284.27 g/mol, XLogP of -1.11, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid is sourced from PubChem (CID 107497570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).