3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid

C15H28N2O3 — CID 107400040

IUPAC3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CC1CCC1)C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-5-16(11-12-7-6-8-12)14(20)17(15(2,3)4)10-9-13(18)19/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyDLYXNRDKDBSEOA-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.80
Rot. Bonds6

About 3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid

3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid (PubChem CID 107400040) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid
PubChem CID107400040
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CC1CCC1)C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-5-16(11-12-7-6-8-12)14(20)17(15(2,3)4)10-9-13(18)19/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyDLYXNRDKDBSEOA-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386010
3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522773
3-[tert-butyl-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 61449870
2-[[cyclobutylmethyl(ethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107400173
3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid
CID 61194347
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-methylpropanamide
CID 107398375
N-(cyclobutylmethyl)-N-ethyl-2,2,3,3,3-pentafluoropropanamide
CID 114038274
3-[(4-tert-butylcyclohexanecarbonyl)-ethylamino]propanoic acid
CID 61007609
3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
CID 61194349
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide
CID 107397616
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid (CID 107400040) is 3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid is CCN(CC1CCC1)C(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid?
The InChIKey is DLYXNRDKDBSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-16(11-12-7-6-8-12)14(20)17(15(2,3)4)10-9-13(18)19/h12H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid?
3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 107400040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).