4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid

C13H24N2O3 — CID 55000266

IUPAC4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
SMILESCC(C)N(CC1CC1)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(2)15(9-11-6-7-11)13(18)14(3)8-4-5-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyYCBVVBKSKVJMPQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds7

About 4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid

4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid (PubChem CID 55000266) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
PubChem CID55000266
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
SMILESCC(C)N(CC1CC1)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(2)15(9-11-6-7-11)13(18)14(3)8-4-5-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyYCBVVBKSKVJMPQ-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749
4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 63707414
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid
CID 43264449
4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid
CID 64890891
3-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]propanoic acid
CID 63860398
4-[[cyclopropyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 54995027
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[cyclopropylmethyl(propyl)amino]butanoic acid
CID 61441614
2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 61209214

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid (CID 55000266) is 4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid is CC(C)N(CC1CC1)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid?
The InChIKey is YCBVVBKSKVJMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)15(9-11-6-7-11)13(18)14(3)8-4-5-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid?
4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 55000266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).