2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid

C15H28N4O4 — CID 122126635

IUPAC2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)N1CCCC(CNC(N)=O)C1)C(=O)O
InChIInChI=1S/C15H28N4O4/c1-10(2)6-12(13(20)21)8-18-15(23)19-5-3-4-11(9-19)7-17-14(16)22/h10-12H,3-9H2,1-2H3,(H,18,23)(H,20,21)(H3,16,17,22)
InChIKeyNCUHNYYPORDFAQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.82
Rot. Bonds7

About 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid

2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid (PubChem CID 122126635) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid
PubChem CID122126635
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)N1CCCC(CNC(N)=O)C1)C(=O)O
InChIInChI=1S/C15H28N4O4/c1-10(2)6-12(13(20)21)8-18-15(23)19-5-3-4-11(9-19)7-17-14(16)22/h10-12H,3-9H2,1-2H3,(H,18,23)(H,20,21)(H3,16,17,22)
InChIKeyNCUHNYYPORDFAQ-UHFFFAOYSA-N
XLogP0.82
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid with MolForge

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Related Compounds

3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 65223287
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 107228296
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 103536386
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid
CID 103925732
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61203541
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
(3S)-3-[(carbamoylamino)methyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-1-carboxamide
CID 95761695

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid (CID 122126635) is 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)N1CCCC(CNC(N)=O)C1)C(=O)O.
What is the InChIKey of 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid?
The InChIKey is NCUHNYYPORDFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-10(2)6-12(13(20)21)8-18-15(23)19-5-3-4-11(9-19)7-17-14(16)22/h10-12H,3-9H2,1-2H3,(H,18,23)(H,20,21)(H3,16,17,22).
What are the key properties of 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid?
2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid has a molecular weight of 328.41 g/mol, XLogP of 0.82, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 122126635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).