2-(2-ethylbutylcarbamoylamino)pentanoic acid

C12H24N2O3 — CID 82927206

IUPAC2-(2-ethylbutylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCC(CC)CC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-7-10(11(15)16)14-12(17)13-8-9(5-2)6-3/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeySIEFHQJIJCKAGC-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.98
Rot. Bonds8

About 2-(2-ethylbutylcarbamoylamino)pentanoic acid

2-(2-ethylbutylcarbamoylamino)pentanoic acid (PubChem CID 82927206) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(2-ethylbutylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2-ethylbutylcarbamoylamino)pentanoic acid
PubChem CID82927206
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(2-ethylbutylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCC(CC)CC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-7-10(11(15)16)14-12(17)13-8-9(5-2)6-3/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeySIEFHQJIJCKAGC-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 107817439
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
(2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid
CID 104874054
(2R)-2-(2-ethylhexylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 107817476
2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pentanoic acid
CID 63957961
(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
CID 107566318
2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
CID 107566228
(2S)-2-(2-methylbutylcarbamoylamino)hexanoic acid
CID 107146017
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 103995941
1-(2-ethylbutyl)-3-propan-2-ylurea
CID 84528098

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(2-ethylbutylcarbamoylamino)pentanoic acid (CID 82927206) is 2-(2-ethylbutylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(2-ethylbutylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(2-ethylbutylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCC(CC)CC)C(=O)O.
What is the InChIKey of 2-(2-ethylbutylcarbamoylamino)pentanoic acid?
The InChIKey is SIEFHQJIJCKAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-7-10(11(15)16)14-12(17)13-8-9(5-2)6-3/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(2-ethylbutylcarbamoylamino)pentanoic acid?
2-(2-ethylbutylcarbamoylamino)pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 82927206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).