3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride

C9H18ClN3O3 — CID 138985460

IUPAC3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
SMILESCNC(=O)N1CCN(CCC(=O)O)CC1.Cl
InChIInChI=1S/C9H17N3O3.ClH/c1-10-9(15)12-6-4-11(5-7-12)3-2-8(13)14;/h2-7H2,1H3,(H,10,15)(H,13,14);1H
InChIKeyUPCUVOASNBFPEP-UHFFFAOYSA-N
MW251.71 g/mol
LogP-0.16
Rot. Bonds3

About 3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride

3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride (PubChem CID 138985460) has the molecular formula C9H18ClN3O3 and a molecular weight of 251.71 g/mol. Its IUPAC name is 3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
PubChem CID138985460
Molecular FormulaC9H18ClN3O3
Molecular Weight251.71 g/mol
Exact Mass251.10
IUPAC Name3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
SMILESCNC(=O)N1CCN(CCC(=O)O)CC1.Cl
InChIInChI=1S/C9H17N3O3.ClH/c1-10-9(15)12-6-4-11(5-7-12)3-2-8(13)14;/h2-7H2,1H3,(H,10,15)(H,13,14);1H
InChIKeyUPCUVOASNBFPEP-UHFFFAOYSA-N
XLogP-0.16
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43522243
3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61188640
3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61185961
3-[4-(pentan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61182383
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 157028583
3-[4,10-bis(carboxymethyl)-7-[3-(methylamino)-3-oxopropyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 122463672
3-[4-(2-methylbutylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62691648
3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
CID 61196920
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
CID 56802011
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 64921848

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride (CID 138985460) is 3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride is CNC(=O)N1CCN(CCC(=O)O)CC1.Cl.
What is the InChIKey of 3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride?
The InChIKey is UPCUVOASNBFPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3.ClH/c1-10-9(15)12-6-4-11(5-7-12)3-2-8(13)14;/h2-7H2,1H3,(H,10,15)(H,13,14);1H.
What are the key properties of 3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride?
3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 138985460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).