3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid

C14H25N3O3 — CID 61200687

IUPAC3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(C)N1CCN(C(=O)N(CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-11(2)15-7-9-16(10-8-15)14(20)17(12-3-4-12)6-5-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyUNIQBRTWTUBAGM-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds5

About 3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid

3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 61200687) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID61200687
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(C)N1CCN(C(=O)N(CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-11(2)15-7-9-16(10-8-15)14(20)17(12-3-4-12)6-5-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyUNIQBRTWTUBAGM-UHFFFAOYSA-N
XLogP1.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
CID 65059244
3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115163
3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 79181069
3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid
CID 63161763
3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid
CID 63616193
3-[cyclopropyl-(5-oxo-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 63004828
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 65056765
3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202092
3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 81474450
3-[cyclopropyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 61201390
3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid
CID 65059132

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid (CID 61200687) is 3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid is CC(C)N1CCN(C(=O)N(CCC(=O)O)C2CC2)CC1.
What is the InChIKey of 3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is UNIQBRTWTUBAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(2)15-7-9-16(10-8-15)14(20)17(12-3-4-12)6-5-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61200687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).