2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid

C10H19NO4 — CID 106248256

IUPAC2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid
SMILESCOCC(O)CCNC(C(=O)O)C1CC1
InChIInChI=1S/C10H19NO4/c1-15-6-8(12)4-5-11-9(10(13)14)7-2-3-7/h7-9,11-12H,2-6H2,1H3,(H,13,14)
InChIKeyMNINYINUYKWOFO-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.16
Rot. Bonds8

About 2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid

2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid (PubChem CID 106248256) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid
PubChem CID106248256
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid
SMILESCOCC(O)CCNC(C(=O)O)C1CC1
InChIInChI=1S/C10H19NO4/c1-15-6-8(12)4-5-11-9(10(13)14)7-2-3-7/h7-9,11-12H,2-6H2,1H3,(H,13,14)
InChIKeyMNINYINUYKWOFO-UHFFFAOYSA-N
XLogP-0.16
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
CID 103267655
2-cyclopropyl-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877567
2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
CID 103260755
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol
CID 115897166
1-methoxy-4-[(4-propan-2-ylcyclohexyl)amino]butan-2-ol
CID 103876423
2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
2-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylacetic acid
CID 106248272
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
CID 62697319
2-cyclopropyl-2-[(2-methoxy-2-methylpropyl)amino]acetic acid
CID 103266053
1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 103906098

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid (CID 106248256) is 2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid is COCC(O)CCNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid?
The InChIKey is MNINYINUYKWOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-15-6-8(12)4-5-11-9(10(13)14)7-2-3-7/h7-9,11-12H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid?
2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid has a molecular weight of 217.26 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-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid is sourced from PubChem (CID 106248256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).