2-[(methylcarbamoylamino)methyl]pentanoic acid

C8H16N2O3 — CID 65217625

IUPAC2-[(methylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-4-6(7(11)12)5-10-8(13)9-2/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13)
InChIKeyMQQXWMVRTPPOGW-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.42
Rot. Bonds5

About 2-[(methylcarbamoylamino)methyl]pentanoic acid

2-[(methylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65217625) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(methylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(methylcarbamoylamino)methyl]pentanoic acid
PubChem CID65217625
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[(methylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-4-6(7(11)12)5-10-8(13)9-2/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13)
InChIKeyMQQXWMVRTPPOGW-UHFFFAOYSA-N
XLogP0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[(hexan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65222200
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[(4-methylpentan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 65223798
2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid
CID 65223693
2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
CID 65223178
2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid
CID 65223857
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
2-[(hex-5-ynylcarbamoylamino)methyl]pentanoic acid
CID 114159413
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-[(heptanoylamino)methyl]pentanoic acid
CID 65218946

Frequently Asked Questions

What is the IUPAC name of 2-[(methylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(methylcarbamoylamino)methyl]pentanoic acid (CID 65217625) is 2-[(methylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(methylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(methylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NC)C(=O)O.
What is the InChIKey of 2-[(methylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is MQQXWMVRTPPOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-4-6(7(11)12)5-10-8(13)9-2/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13).
What are the key properties of 2-[(methylcarbamoylamino)methyl]pentanoic acid?
2-[(methylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 188.23 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65217625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).