2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid

C14H26N2O5 — CID 114950946

IUPAC2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)CC1(O)CCOCC1)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-3-4-11(12(17)18)9-15-13(19)16(2)10-14(20)5-7-21-8-6-14/h11,20H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMEYDVATVNNHHNP-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.67
Rot. Bonds7

About 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid

2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid (PubChem CID 114950946) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid
PubChem CID114950946
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)CC1(O)CCOCC1)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-3-4-11(12(17)18)9-15-13(19)16(2)10-14(20)5-7-21-8-6-14/h11,20H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMEYDVATVNNHHNP-UHFFFAOYSA-N
XLogP0.67
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]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

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide
CID 114951401
4-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 114950925
(2S)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]hexanoic acid
CID 107146646
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]-2-methylbutanoic acid
CID 114950933
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 114950907
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid
CID 82749425
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 114950952
(2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 104985558
2-[[[methyl(3-methylsulfanylpropyl)carbamoyl]amino]methyl]pentanoic acid
CID 114237789
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid
CID 114950941

Frequently Asked Questions

What is the IUPAC name of 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid (CID 114950946) is 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N(C)CC1(O)CCOCC1)C(=O)O.
What is the InChIKey of 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid?
The InChIKey is MEYDVATVNNHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-3-4-11(12(17)18)9-15-13(19)16(2)10-14(20)5-7-21-8-6-14/h11,20H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid?
2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid has a molecular weight of 302.37 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 114950946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).