2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid

C13H26N2O3 — CID 113364267

IUPAC2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid
SMILESCCCCC(CCC)NC(=O)N(CC)CC(=O)O
InChIInChI=1S/C13H26N2O3/c1-4-7-9-11(8-5-2)14-13(18)15(6-3)10-12(16)17/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyQUJNVSLRKHTEHK-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.46
Rot. Bonds9

About 2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid

2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid (PubChem CID 113364267) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid
PubChem CID113364267
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid
SMILESCCCCC(CCC)NC(=O)N(CC)CC(=O)O
InChIInChI=1S/C13H26N2O3/c1-4-7-9-11(8-5-2)14-13(18)15(6-3)10-12(16)17/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyQUJNVSLRKHTEHK-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991
2-[hexan-3-ylcarbamoyl(propan-2-yl)amino]acetic acid
CID 62119342
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
3-(octan-4-ylcarbamoylamino)pentanoic acid
CID 106020637
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212
2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
CID 61471634
N-octan-4-ylpentanamide
CID 91803774
2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid
CID 135210925
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
CID 106346590

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid (CID 113364267) is 2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid is CCCCC(CCC)NC(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid?
The InChIKey is QUJNVSLRKHTEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-7-9-11(8-5-2)14-13(18)15(6-3)10-12(16)17/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid?
2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 113364267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).