2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid

C12H22N4O4 — CID 61465895

IUPAC2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid
SMILESCC(NC(=O)N1CCN(CC(=O)O)CC1)C(=O)N(C)C
InChIInChI=1S/C12H22N4O4/c1-9(11(19)14(2)3)13-12(20)16-6-4-15(5-7-16)8-10(17)18/h9H,4-8H2,1-3H3,(H,13,20)(H,17,18)
InChIKeyNKNJIRWUADBMAP-UHFFFAOYSA-N
MW286.33 g/mol
LogP-1.13
Rot. Bonds4

About 2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid

2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 61465895) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid
PubChem CID61465895
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid
SMILESCC(NC(=O)N1CCN(CC(=O)O)CC1)C(=O)N(C)C
InChIInChI=1S/C12H22N4O4/c1-9(11(19)14(2)3)13-12(20)16-6-4-15(5-7-16)8-10(17)18/h9H,4-8H2,1-3H3,(H,13,20)(H,17,18)
InChIKeyNKNJIRWUADBMAP-UHFFFAOYSA-N
XLogP-1.13
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 82938505
2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 65048132
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61200830
2-[4-(dimethylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825178
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565
4,7-bis(carboxymethyl)-10-[2-(dimethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylic acid
CID 20603350
(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120309
2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
CID 103112547
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62824161
2-[7-(carboxymethyl)-4,10-bis(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 15798973

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid (CID 61465895) is 2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid is CC(NC(=O)N1CCN(CC(=O)O)CC1)C(=O)N(C)C.
What is the InChIKey of 2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is NKNJIRWUADBMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-9(11(19)14(2)3)13-12(20)16-6-4-15(5-7-16)8-10(17)18/h9H,4-8H2,1-3H3,(H,13,20)(H,17,18).
What are the key properties of 2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 61465895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).