2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid

C10H21NO3 — CID 61425240

IUPAC2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid
SMILESCCCN(CCO)C(C(=O)O)C(C)C
InChIInChI=1S/C10H21NO3/c1-4-5-11(6-7-12)9(8(2)3)10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyCPBUCQHANNWCCM-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.80
Rot. Bonds7

About 2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid

2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid (PubChem CID 61425240) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid
PubChem CID61425240
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid
SMILESCCCN(CCO)C(C(=O)O)C(C)C
InChIInChI=1S/C10H21NO3/c1-4-5-11(6-7-12)9(8(2)3)10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyCPBUCQHANNWCCM-UHFFFAOYSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
CID 63585073
2-[bis(carboxymethyl)amino]-3-methylbutanoic acid
CID 23422375
2-[4-aminobutan-2-yl(propyl)amino]ethanol
CID 61424926
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
CID 62014639
N-cyclopropyl-2-[2-hydroxyethyl(propyl)amino]propanamide
CID 60691805
2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid
CID 23364153
(2S)-2-[bis(hex-5-ynyl)amino]-3-methylbutanoic acid
CID 175928671
(2S)-2-[bis(phosphonomethyl)amino]-3-methylbutanoic acid
CID 87461807
2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid
CID 154125332
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid
CID 43572314

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid (CID 61425240) is 2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid is CCCN(CCO)C(C(=O)O)C(C)C.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid?
The InChIKey is CPBUCQHANNWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-5-11(6-7-12)9(8(2)3)10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid?
2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 61425240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).