4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid

C14H28N2O3 — CID 61197198

IUPAC4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCCN(CC(C)C)C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-15(10-11(2)3)14(19)16(12(4)5)9-7-8-13(17)18/h11-12H,6-10H2,1-5H3,(H,17,18)
InChIKeyZCUBCPFTRCJRQY-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.66
Rot. Bonds8

About 4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid

4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 61197198) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
PubChem CID61197198
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCCN(CC(C)C)C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-15(10-11(2)3)14(19)16(12(4)5)9-7-8-13(17)18/h11-12H,6-10H2,1-5H3,(H,17,18)
InChIKeyZCUBCPFTRCJRQY-UHFFFAOYSA-N
XLogP2.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61447544
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
3-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61184887
3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853195
4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
CID 62105886
3-[ethyl-[propan-2-yl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853557
4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834108
3-[[methyl(2-methylbutyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61199676
5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid
CID 23588339
4-[2,2-dimethylbutanoyl(propan-2-yl)amino]butanoic acid
CID 62679528

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid (CID 61197198) is 4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid is CCN(CC(C)C)C(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is ZCUBCPFTRCJRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-15(10-11(2)3)14(19)16(12(4)5)9-7-8-13(17)18/h11-12H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid?
4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61197198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).