2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid

C11H23N3O3 — CID 104686710

IUPAC2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid
SMILESCNCCN(C)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-9(10(15)16)5-4-6-13-11(17)14(3)8-7-12-2/h9,12H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyGHCCUUCSSODJNA-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.35
Rot. Bonds8

About 2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid

2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid (PubChem CID 104686710) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid
PubChem CID104686710
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid
SMILESCNCCN(C)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-9(10(15)16)5-4-6-13-11(17)14(3)8-7-12-2/h9,12H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyGHCCUUCSSODJNA-UHFFFAOYSA-N
XLogP0.35
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(methylamino)pentanoic acid
CID 59942755
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541128
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686220
2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid
CID 104686265
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
5-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686336
5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid
CID 104681859
5-[[butan-2-yl(ethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686221
3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid
CID 81069981
5-[bis(prop-2-enyl)carbamoylamino]-2-methylpentanoic acid
CID 113441173
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid (CID 104686710) is 2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid is CNCCN(C)C(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid?
The InChIKey is GHCCUUCSSODJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-9(10(15)16)5-4-6-13-11(17)14(3)8-7-12-2/h9,12H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid?
2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 104686710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).