(2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid

C7H13N3O3 — CID 163477906

IUPAC(2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(C(N)=O)C[C@H]1C(=O)O
InChIInChI=1S/C7H13N3O3/c1-9-2-3-10(7(8)13)4-5(9)6(11)12/h5H,2-4H2,1H3,(H2,8,13)(H,11,12)/t5-/m0/s1
InChIKeyCCALTLQQWMIXLV-YFKPBYRVSA-N
MW187.20 g/mol
LogP-1.23
Rot. Bonds1

About (2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid

(2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid (PubChem CID 163477906) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid
PubChem CID163477906
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name(2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(C(N)=O)C[C@H]1C(=O)O
InChIInChI=1S/C7H13N3O3/c1-9-2-3-10(7(8)13)4-5(9)6(11)12/h5H,2-4H2,1H3,(H2,8,13)(H,11,12)/t5-/m0/s1
InChIKeyCCALTLQQWMIXLV-YFKPBYRVSA-N
XLogP-1.23
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid
CID 98265692
(2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide
CID 124992011
(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid
CID 125014139
4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
CID 66509723
1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123
4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid
CID 56705242
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
CID 56702528
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 145087552
(2S)-4-[2-(1,3-benzodioxol-5-yl)acetyl]-1-methylpiperazine-2-carboxylic acid
CID 95210415
1-methyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-2-carboxylic acid
CID 56721335
(2S)-4-[(2-amino-3-pyridinyl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 124751138

Frequently Asked Questions

What is the IUPAC name of (2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid?
The IUPAC name of (2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid (CID 163477906) is (2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid?
The canonical SMILES for (2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid is CN1CCN(C(N)=O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid?
The InChIKey is CCALTLQQWMIXLV-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-9-2-3-10(7(8)13)4-5(9)6(11)12/h5H,2-4H2,1H3,(H2,8,13)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid?
(2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of -1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-carbamoyl-1-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 163477906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).