3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid

C11H20N4O4 — CID 43522354

IUPAC3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
SMILESNC(=O)NC(=O)CCN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H20N4O4/c12-11(19)13-9(16)1-3-14-5-7-15(8-6-14)4-2-10(17)18/h1-8H2,(H,17,18)(H3,12,13,16,19)
InChIKeyLOXUNBHYSBZWFQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP-1.34
Rot. Bonds6

About 3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid

3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid (PubChem CID 43522354) has the molecular formula C11H20N4O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
PubChem CID43522354
Molecular FormulaC11H20N4O4
Molecular Weight272.30 g/mol
Exact Mass272.15
IUPAC Name3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
SMILESNC(=O)NC(=O)CCN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H20N4O4/c12-11(19)13-9(16)1-3-14-5-7-15(8-6-14)4-2-10(17)18/h1-8H2,(H,17,18)(H3,12,13,16,19)
InChIKeyLOXUNBHYSBZWFQ-UHFFFAOYSA-N
XLogP-1.34
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid
CID 64616484
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
3-[4,10-bis(carboxymethyl)-7-[3-(methylamino)-3-oxopropyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 122463672
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide
CID 43252755
N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 75431410
tris(3-(aziridin-1-yl)propanoic acid);propane-1,1,1-triol
CID 22071895
N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide
CID 35155323
3-[7-(carboxymethyl)-4,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 129038037
3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 138985460

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid (CID 43522354) is 3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid is NC(=O)NC(=O)CCN1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid?
The InChIKey is LOXUNBHYSBZWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c12-11(19)13-9(16)1-3-14-5-7-15(8-6-14)4-2-10(17)18/h1-8H2,(H,17,18)(H3,12,13,16,19).
What are the key properties of 3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid?
3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid has a molecular weight of 272.30 g/mol, XLogP of -1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).