methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate

C9H19NO3 — CID 107886724

IUPACmethyl 2-hydroxy-3-(pentan-2-ylamino)propanoate
SMILESCCCC(C)NCC(O)C(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-5-7(2)10-6-8(11)9(12)13-3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyXCQVMILKWZYXDV-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds6

About methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate

methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate (PubChem CID 107886724) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(pentan-2-ylamino)propanoate
PubChem CID107886724
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 2-hydroxy-3-(pentan-2-ylamino)propanoate
SMILESCCCC(C)NCC(O)C(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-5-7(2)10-6-8(11)9(12)13-3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyXCQVMILKWZYXDV-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-(propan-2-ylamino)propanoate
CID 103491574
methyl 2-hydroxypentanoate
CID 543619
2-hydroxy-3-(octan-2-ylamino)propanamide
CID 106171085
N-(2,2-dimethoxyethyl)pentan-2-amine
CID 60816170
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
methyl (2S)-2-hydroxyheptanoate
CID 71444954
methyl (2R,3R)-3-hydroxy-2-methylhexanoate
CID 12755434
1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
CID 103787947
N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
CID 106513123
1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol
CID 60634427
1-methoxy-4-(pentan-2-ylamino)butan-2-ol
CID 115897158
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate (CID 107886724) is methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate is CCCC(C)NCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate?
The InChIKey is XCQVMILKWZYXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-5-7(2)10-6-8(11)9(12)13-3/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate?
methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate is sourced from PubChem (CID 107886724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).