(2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid

C11H16N4O5 — CID 104871763

IUPAC(2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)NCCc1ncc[nH]1)C(=O)O
InChIInChI=1S/C11H16N4O5/c16-9(17)2-1-7(10(18)19)15-11(20)14-4-3-8-12-5-6-13-8/h5-7H,1-4H2,(H,12,13)(H,16,17)(H,18,19)(H2,14,15,20)/t7-/m0/s1
InChIKeyBYEXYJWKBGXIBU-ZETCQYMHSA-N
MW284.27 g/mol
LogP-0.43
Rot. Bonds8

About (2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid

(2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid (PubChem CID 104871763) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid
PubChem CID104871763
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name(2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)NCCc1ncc[nH]1)C(=O)O
InChIInChI=1S/C11H16N4O5/c16-9(17)2-1-7(10(18)19)15-11(20)14-4-3-8-12-5-6-13-8/h5-7H,1-4H2,(H,12,13)(H,16,17)(H,18,19)(H2,14,15,20)/t7-/m0/s1
InChIKeyBYEXYJWKBGXIBU-ZETCQYMHSA-N
XLogP-0.43
TPSA144.41 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-imidazol-2-yl)propanoic acid
CID 175951913
3-(1H-imidazol-2-yl)propanoic acid;dihydrochloride
CID 70511103
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]pentanedioic acid
CID 106105888
(2S)-5-amino-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 65231156
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
2-(1H-imidazol-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 64523153
(2S)-2-(1H-imidazol-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 64525321
(2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid
CID 61185937
(2S)-2-[5-(pyrimidine-4-carbonylamino)pentylcarbamoylamino]pentanedioic acid
CID 130432435
7-(1H-imidazol-2-ylmethylcarbamoylamino)heptanoic acid
CID 64524727
4-amino-5-(1H-imidazol-2-ylmethylamino)-5-oxopentanoic acid
CID 64889363
1-[2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498272

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid (CID 104871763) is (2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid is O=C(O)CC[C@H](NC(=O)NCCc1ncc[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid?
The InChIKey is BYEXYJWKBGXIBU-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N4O5/c16-9(17)2-1-7(10(18)19)15-11(20)14-4-3-8-12-5-6-13-8/h5-7H,1-4H2,(H,12,13)(H,16,17)(H,18,19)(H2,14,15,20)/t7-/m0/s1.
What are the key properties of (2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid?
(2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid has a molecular weight of 284.27 g/mol, XLogP of -0.43, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid is sourced from PubChem (CID 104871763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).