(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid

C10H18N2O5 — CID 107566284

IUPAC(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCC(=O)OCC)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-5-7(9(14)15)12-10(16)11-6-8(13)17-4-2/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)/t7-/m0/s1
InChIKeyVOMFUSGZJXKKAF-ZETCQYMHSA-N
MW246.26 g/mol
LogP0.10
Rot. Bonds7

About (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid

(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid (PubChem CID 107566284) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
PubChem CID107566284
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCC(=O)OCC)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-5-7(9(14)15)12-10(16)11-6-8(13)17-4-2/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)/t7-/m0/s1
InChIKeyVOMFUSGZJXKKAF-ZETCQYMHSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
CID 107566318
(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 113353179
ethyl 2-(hex-1-yn-3-ylcarbamoylamino)acetate
CID 103528288
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61204346
(2S)-2-[(2-methyl-2-methylsulfanylpropyl)carbamoylamino]pentanoic acid
CID 107567623
ethyl 2-(1-dimethoxyphosphorylbutylcarbamoylamino)acetate
CID 174312194
(2S)-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]pentanoic acid
CID 107566361
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid
CID 61181286
2-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]pentanoic acid
CID 112588497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid (CID 107566284) is (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NCC(=O)OCC)C(=O)O.
What is the InChIKey of (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid?
The InChIKey is VOMFUSGZJXKKAF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-3-5-7(9(14)15)12-10(16)11-6-8(13)17-4-2/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid?
(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).