2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid

C9H19NO4 — CID 106190511

IUPAC2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid
SMILESCCCC(NC(CO)COC)C(=O)O
InChIInChI=1S/C9H19NO4/c1-3-4-8(9(12)13)10-7(5-11)6-14-2/h7-8,10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyQBSOHYXJLFTVOL-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.16
Rot. Bonds8

About 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid

2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid (PubChem CID 106190511) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid
PubChem CID106190511
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid
SMILESCCCC(NC(CO)COC)C(=O)O
InChIInChI=1S/C9H19NO4/c1-3-4-8(9(12)13)10-7(5-11)6-14-2/h7-8,10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyQBSOHYXJLFTVOL-UHFFFAOYSA-N
XLogP-0.16
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106187891
2-(4-methoxybutan-2-ylamino)pentanoic acid
CID 65055472
(2S)-2-(1-methoxybutan-2-ylcarbamoylamino)pentanoic acid
CID 107567087
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106190646
5-methoxy-2-(pentan-2-ylamino)pentanoic acid
CID 107886535
methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate
CID 106187566
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
2-(octan-4-ylamino)butanoic acid
CID 106019964
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
N-(ethylcarbamoyl)-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanamide
CID 106190668
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid (CID 106190511) is 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid is CCCC(NC(CO)COC)C(=O)O.
What is the InChIKey of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid?
The InChIKey is QBSOHYXJLFTVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-4-8(9(12)13)10-7(5-11)6-14-2/h7-8,10-11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid?
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid has a molecular weight of 205.25 g/mol, XLogP of -0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 106190511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).