2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid

C8H16N4O3 — CID 83020661

IUPAC2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid
SMILESCN1CCN(NC(=O)NCC(=O)O)CC1
InChIInChI=1S/C8H16N4O3/c1-11-2-4-12(5-3-11)10-8(15)9-6-7(13)14/h2-6H2,1H3,(H,13,14)(H2,9,10,15)
InChIKeyMNUMVNCQINADQL-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.47
Rot. Bonds3

About 2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid

2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid (PubChem CID 83020661) has the molecular formula C8H16N4O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid
PubChem CID83020661
Molecular FormulaC8H16N4O3
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC Name2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid
SMILESCN1CCN(NC(=O)NCC(=O)O)CC1
InChIInChI=1S/C8H16N4O3/c1-11-2-4-12(5-3-11)10-8(15)9-6-7(13)14/h2-6H2,1H3,(H,13,14)(H2,9,10,15)
InChIKeyMNUMVNCQINADQL-UHFFFAOYSA-N
XLogP-1.47
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83019684
2-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83019681
2-[2-[(4-methylpiperazin-1-yl)carbamoylamino]ethoxy]acetic acid
CID 83020738
4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83020487
1-hydroxy-3-(4-methylpiperazin-1-yl)urea
CID 23526196
1-benzyl-3-(4-methylpiperazin-1-yl)urea
CID 107653207
3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83019834
2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020744
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020654
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 107567456
5-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 83017675
1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 83020742

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid (CID 83020661) is 2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid is CN1CCN(NC(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid?
The InChIKey is MNUMVNCQINADQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3/c1-11-2-4-12(5-3-11)10-8(15)9-6-7(13)14/h2-6H2,1H3,(H,13,14)(H2,9,10,15).
What are the key properties of 2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid?
2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid has a molecular weight of 216.24 g/mol, XLogP of -1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 83020661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).