4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid

C13H26N2O3 — CID 62048697

IUPAC4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid
SMILESCCCN(C(=O)NC(C)(C)CCC(=O)O)C(C)C
InChIInChI=1S/C13H26N2O3/c1-6-9-15(10(2)3)12(18)14-13(4,5)8-7-11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyKHBJNXUZBZXQPH-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.46
Rot. Bonds7

About 4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid

4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid (PubChem CID 62048697) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid
PubChem CID62048697
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid
SMILESCCCN(C(=O)NC(C)(C)CCC(=O)O)C(C)C
InChIInChI=1S/C13H26N2O3/c1-6-9-15(10(2)3)12(18)14-13(4,5)8-7-11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyKHBJNXUZBZXQPH-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methylpentanoic acid
CID 62049082
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048521
4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
CID 62049660
1-[2-(methylamino)ethyl]-3-(2-methylbutan-2-yl)-1-propan-2-ylurea
CID 165447355
4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 63690077
4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864148
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
3-[dimethylaminocarbamoyl(propan-2-yl)amino]propanoic acid
CID 83020290
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 55228127
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 81057369
(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 78972056
4-methyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 112700739

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid (CID 62048697) is 4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid is CCCN(C(=O)NC(C)(C)CCC(=O)O)C(C)C.
What is the InChIKey of 4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid?
The InChIKey is KHBJNXUZBZXQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-9-15(10(2)3)12(18)14-13(4,5)8-7-11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid?
4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 62048697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).