3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid

C12H21N3O4 — CID 62216175

IUPAC3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
SMILESCC(C(=O)NC(N)=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-8(11(18)14-12(13)19)15-6-4-9(5-7-15)2-3-10(16)17/h8-9H,2-7H2,1H3,(H,16,17)(H3,13,14,18,19)
InChIKeyDQLMMLAWAVFYKX-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.15
Rot. Bonds5

About 3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid

3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid (PubChem CID 62216175) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
PubChem CID62216175
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
SMILESCC(C(=O)NC(N)=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-8(11(18)14-12(13)19)15-6-4-9(5-7-15)2-3-10(16)17/h8-9H,2-7H2,1H3,(H,16,17)(H3,13,14,18,19)
InChIKeyDQLMMLAWAVFYKX-UHFFFAOYSA-N
XLogP0.15
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
CID 62216173
N-carbamoyl-2-[4-(ethylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119928173
3-[1-(1-chloroethyl)piperidin-4-yl]propanoic acid
CID 89105983
N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256660
3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
CID 65062735
2-[4-(2-aminoethoxy)piperidin-1-yl]-N-carbamoylpropanamide
CID 82692623
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
CID 112630191
(2R)-N-carbamoyl-2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 95155506
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide
CID 63339692
3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65059979
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124488

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid (CID 62216175) is 3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid is CC(C(=O)NC(N)=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid?
The InChIKey is DQLMMLAWAVFYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(11(18)14-12(13)19)15-6-4-9(5-7-15)2-3-10(16)17/h8-9H,2-7H2,1H3,(H,16,17)(H3,13,14,18,19).
What are the key properties of 3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid?
3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).