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

C14H26N2O5 — CID 114950941

IUPAC2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(C)CC1(O)CCOCC1)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-4-5-13(2,11(17)18)15-12(19)16(3)10-14(20)6-8-21-9-7-14/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBMBGDAOBEHXRTJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.81
Rot. Bonds6

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

2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid (PubChem CID 114950941) 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]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid
PubChem CID114950941
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(C)CC1(O)CCOCC1)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-4-5-13(2,11(17)18)15-12(19)16(3)10-14(20)6-8-21-9-7-14/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBMBGDAOBEHXRTJ-UHFFFAOYSA-N
XLogP0.81
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063
2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]-2-methylbutanoic acid
CID 114950933
3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 114951180
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid
CID 114950946
3-[ethyl-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]propanoic acid
CID 114950898
(2S)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]hexanoic acid
CID 107146646
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide
CID 114951401
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide
CID 114951614
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 114950907
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 104764205

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid (CID 114950941) is 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)N(C)CC1(O)CCOCC1)C(=O)O.
What is the InChIKey of 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is BMBGDAOBEHXRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-4-5-13(2,11(17)18)15-12(19)16(3)10-14(20)6-8-21-9-7-14/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid?
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 302.37 g/mol, XLogP of 0.81, 6 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]-2-methylpentanoic acid is sourced from PubChem (CID 114950941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).