4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid

C14H27N3O4 — CID 103103551

IUPAC4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid
SMILESCCN(CC(N)=O)C(=O)NCCC(CCC(=O)O)C(C)C
InChIInChI=1S/C14H27N3O4/c1-4-17(9-12(15)18)14(21)16-8-7-11(10(2)3)5-6-13(19)20/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyQUPHWUGUMBRWPT-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.03
Rot. Bonds10

About 4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid

4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid (PubChem CID 103103551) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid
PubChem CID103103551
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid
SMILESCCN(CC(N)=O)C(=O)NCCC(CCC(=O)O)C(C)C
InChIInChI=1S/C14H27N3O4/c1-4-17(9-12(15)18)14(21)16-8-7-11(10(2)3)5-6-13(19)20/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyQUPHWUGUMBRWPT-UHFFFAOYSA-N
XLogP1.03
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
CID 103103549
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
5-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 82013638
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]-5-methylhexanoic acid
CID 64894994
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
CID 65266918
3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
CID 106238668
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020
4-[2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]-5-methylhexanoic acid
CID 104908546
5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
CID 82689316

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid?
The IUPAC name of 4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid (CID 103103551) is 4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid.
What is the SMILES notation for 4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid?
The canonical SMILES for 4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid is CCN(CC(N)=O)C(=O)NCCC(CCC(=O)O)C(C)C.
What is the InChIKey of 4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid?
The InChIKey is QUPHWUGUMBRWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-4-17(9-12(15)18)14(21)16-8-7-11(10(2)3)5-6-13(19)20/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20).
What are the key properties of 4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid?
4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.03, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]ethyl]-5-methylhexanoic acid is sourced from PubChem (CID 103103551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).