3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid

C12H23N3O3 — CID 61402752

IUPAC3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)NC1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-9(2)15(8-5-11(16)17)12(18)14-10-3-6-13-7-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyVUAPYGORUVHHJR-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.63
Rot. Bonds5

About 3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid

3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid (PubChem CID 61402752) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
PubChem CID61402752
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)NC1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-9(2)15(8-5-11(16)17)12(18)14-10-3-6-13-7-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyVUAPYGORUVHHJR-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61187933
3-[oxan-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61202946
3-[(1,1-dioxothian-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61201639
3-cyclohexyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79720446
3-[(2,2-dimethyloxan-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 83028277
3-[(2-methylcyclohexyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61190174
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid
CID 79380827
3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61478465
4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 106192096
3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid
CID 61402703
2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid
CID 79257337
3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea
CID 54916723

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid (CID 61402752) is 3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)NC1CCNCC1.
What is the InChIKey of 3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid?
The InChIKey is VUAPYGORUVHHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)15(8-5-11(16)17)12(18)14-10-3-6-13-7-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid?
3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 61402752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).