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

C11H22N4O3 — CID 107567456

IUPAC(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H22N4O3/c1-3-4-9(10(16)17)12-11(18)13-15-7-5-14(2)6-8-15/h9H,3-8H2,1-2H3,(H,16,17)(H2,12,13,18)/t9-/m1/s1
InChIKeyWFVMYFPEORPUGW-SECBINFHSA-N
MW258.32 g/mol
LogP-0.30
Rot. Bonds5

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

(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid (PubChem CID 107567456) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
PubChem CID107567456
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H22N4O3/c1-3-4-9(10(16)17)12-11(18)13-15-7-5-14(2)6-8-15/h9H,3-8H2,1-2H3,(H,16,17)(H2,12,13,18)/t9-/m1/s1
InChIKeyWFVMYFPEORPUGW-SECBINFHSA-N
XLogP-0.30
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020744
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020654
3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83019834
(2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid
CID 107828714
(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566455
2-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83019681
(2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid
CID 107828713
(2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid
CID 107828725
4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83020487
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid (CID 107567456) is (2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NN1CCN(C)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The InChIKey is WFVMYFPEORPUGW-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-3-4-9(10(16)17)12-11(18)13-15-7-5-14(2)6-8-15/h9H,3-8H2,1-2H3,(H,16,17)(H2,12,13,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107567456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).