methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate

C10H17NO3 — CID 116643935

IUPACmethyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate
SMILESCC#CCCNCC(C)(O)C(=O)OC
InChIInChI=1S/C10H17NO3/c1-4-5-6-7-11-8-10(2,13)9(12)14-3/h11,13H,6-8H2,1-3H3
InChIKeyQNNGSKGESHIHMB-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.09
Rot. Bonds5

About methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate

methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate (PubChem CID 116643935) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate
PubChem CID116643935
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate
SMILESCC#CCCNCC(C)(O)C(=O)OC
InChIInChI=1S/C10H17NO3/c1-4-5-6-7-11-8-10(2,13)9(12)14-3/h11,13H,6-8H2,1-3H3
InChIKeyQNNGSKGESHIHMB-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-hydroxy-2-methyl-3-(4-methylpentylamino)propanoate
CID 104644089
methyl 2-hydroxy-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanoate
CID 106429028
methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 104645030
methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 104645029
tert-butyl N-[2-(pent-3-ynylamino)ethyl]carbamate
CID 116643280
2-(pent-3-ynylamino)acetic acid
CID 104808695
methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
CID 104644413
methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 104644043
methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate
CID 113436539
3-methoxy-3-methyl-N-pent-3-ynylbutanamide
CID 103022333
methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate
CID 104644316
methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate
CID 104644498

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate (CID 116643935) is methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate is CC#CCCNCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate?
The InChIKey is QNNGSKGESHIHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-6-7-11-8-10(2,13)9(12)14-3/h11,13H,6-8H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate?
methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate has a molecular weight of 199.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate is sourced from PubChem (CID 116643935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).