3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid

C10H20N2O3 — CID 61181867

IUPAC3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
SMILESCCCC(C)NC(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-5-8(2)11-10(15)12(3)7-6-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyBDXLXWUNKKCOLC-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.29
Rot. Bonds6

About 3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid

3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid (PubChem CID 61181867) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
PubChem CID61181867
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
SMILESCCCC(C)NC(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-5-8(2)11-10(15)12(3)7-6-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyBDXLXWUNKKCOLC-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 61181719
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
4-[pentan-2-ylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61181352
3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
CID 103112618
3-[methyl-[2-(2-methylpentanoylamino)ethylcarbamoyl]amino]propanoic acid
CID 122015297
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 122002482
3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid
CID 61202238
5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
CID 112662505
3-[methyl(2-propylpentanoyl)amino]propanoic acid
CID 82985471
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid (CID 61181867) is 3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid is CCCC(C)NC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid?
The InChIKey is BDXLXWUNKKCOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-5-8(2)11-10(15)12(3)7-6-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid?
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 61181867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).