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

C15H28N2O3 — CID 61198387

IUPAC3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid
SMILESCC1CCCC(NC(=O)N(CCC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11-6-5-7-12(10-11)16-14(20)17(15(2,3)4)9-8-13(18)19/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyUAJTZRYRZFKCQE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds4

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

3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid (PubChem CID 61198387) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid
PubChem CID61198387
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid
SMILESCC1CCCC(NC(=O)N(CCC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11-6-5-7-12(10-11)16-14(20)17(15(2,3)4)9-8-13(18)19/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyUAJTZRYRZFKCQE-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl-[(1,1-dioxothian-4-yl)carbamoyl]amino]propanoic acid
CID 61201640
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
2-[(3-methylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266181
(3-methylcyclohexyl)carbamic acid
CID 67410451
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61186708
3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200021
(3-methylcycloheptyl)carbamic acid
CID 143291001
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea
CID 112837928
2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548922
3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid
CID 43317819

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid (CID 61198387) is 3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid is CC1CCCC(NC(=O)N(CCC(=O)O)C(C)(C)C)C1.
What is the InChIKey of 3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid?
The InChIKey is UAJTZRYRZFKCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-6-5-7-12(10-11)16-14(20)17(15(2,3)4)9-8-13(18)19/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid?
3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61198387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).