(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid

C14H28N2O3 — CID 61438075

IUPAC(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCCC(CC)CN(CC)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-11(7-2)9-16(8-3)14(19)15-12(10(4)5)13(17)18/h10-12H,6-9H2,1-5H3,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyOKQHIDIUZRNOKB-LBPRGKRZSA-N
MW272.39 g/mol
LogP2.56
Rot. Bonds8

About (2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid

(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 61438075) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID61438075
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCCC(CC)CN(CC)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-11(7-2)9-16(8-3)14(19)15-12(10(4)5)13(17)18/h10-12H,6-9H2,1-5H3,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyOKQHIDIUZRNOKB-LBPRGKRZSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 61437732
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437733
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 79010051
2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 61449918
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63954013
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
(2R)-2-[[benzyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010087
3-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009419
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 61235989
3-amino-1-ethyl-1-(2-ethylbutyl)urea
CID 61438084
(2S,3S)-2-[[2-cyanopropyl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 54988733
2-[[2-cyanopropyl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 54988435

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid (CID 61438075) is (2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid is CCC(CC)CN(CC)C(=O)N[C@H](C(=O)O)C(C)C.
What is the InChIKey of (2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is OKQHIDIUZRNOKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-11(7-2)9-16(8-3)14(19)15-12(10(4)5)13(17)18/h10-12H,6-9H2,1-5H3,(H,15,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid?
(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 61438075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).