6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid

C13H25N3O4 — CID 103103599

IUPAC6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid
SMILESCCN(CC(N)=O)C(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-4-16(8-11(14)17)13(20)15-10(3)7-5-6-9(2)12(18)19/h9-10H,4-8H2,1-3H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyIBSGEWILRLDPLC-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.78
Rot. Bonds9

About 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid

6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid (PubChem CID 103103599) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid
PubChem CID103103599
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid
SMILESCCN(CC(N)=O)C(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-4-16(8-11(14)17)13(20)15-10(3)7-5-6-9(2)12(18)19/h9-10H,4-8H2,1-3H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyIBSGEWILRLDPLC-UHFFFAOYSA-N
XLogP0.78
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid with MolForge

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Related Compounds

6-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65290123
6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289849
3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 103103591
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
3-(diethylcarbamoylamino)butanamide
CID 115650436
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686480
(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 78918601
5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686477
(2S,3S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-methylpentanoic acid
CID 62923883
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 55003401
6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid
CID 106097783
(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 62922822

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid?
The IUPAC name of 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid (CID 103103599) is 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid is CCN(CC(N)=O)C(=O)NC(C)CCCC(C)C(=O)O.
What is the InChIKey of 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid?
The InChIKey is IBSGEWILRLDPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-4-16(8-11(14)17)13(20)15-10(3)7-5-6-9(2)12(18)19/h9-10H,4-8H2,1-3H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid?
6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.78, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid is sourced from PubChem (CID 103103599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).