methyl (4R)-4-aminohex-5-ynoate

C7H11NO2 — CID 88718815

IUPACmethyl (4R)-4-aminohex-5-ynoate
SMILESC#C[C@H](N)CCC(=O)OC
InChIInChI=1S/C7H11NO2/c1-3-6(8)4-5-7(9)10-2/h1,6H,4-5,8H2,2H3/t6-/m0/s1
InChIKeyMLXROFZJOQKFLH-LURJTMIESA-N
MW141.17 g/mol
LogP-0.10
Rot. Bonds3

About methyl (4R)-4-aminohex-5-ynoate

methyl (4R)-4-aminohex-5-ynoate (PubChem CID 88718815) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (4R)-4-aminohex-5-ynoate.

Molecular Properties

Compound Namemethyl (4R)-4-aminohex-5-ynoate
PubChem CID88718815
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (4R)-4-aminohex-5-ynoate
SMILESC#C[C@H](N)CCC(=O)OC
InChIInChI=1S/C7H11NO2/c1-3-6(8)4-5-7(9)10-2/h1,6H,4-5,8H2,2H3/t6-/m0/s1
InChIKeyMLXROFZJOQKFLH-LURJTMIESA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561
(1-amino-4-methoxy-4-oxobutyl)boronic acid
CID 18509192
methyl 4-amino-4-bromobutanoate
CID 175158187
methyl (4S)-4-aminohexanoate
CID 130019319
dimethyl 4-methylheptanedioate
CID 521222
methyl 4-amino-5,5-difluoropentanoate;hydrochloride
CID 105455860
methyl 4,4-dicyanobutanoate
CID 14027172
5-aminohept-6-ynoic acid
CID 71374122
[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]azanium
CID 6994978
methyl 4-amino-6-methylheptanoate;hydrochloride
CID 87306139
methyl (4R)-4-amino-4-cyclopropylbutanoate
CID 169118998

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-aminohex-5-ynoate?
The IUPAC name of methyl (4R)-4-aminohex-5-ynoate (CID 88718815) is methyl (4R)-4-aminohex-5-ynoate.
What is the SMILES notation for methyl (4R)-4-aminohex-5-ynoate?
The canonical SMILES for methyl (4R)-4-aminohex-5-ynoate is C#C[C@H](N)CCC(=O)OC.
What is the InChIKey of methyl (4R)-4-aminohex-5-ynoate?
The InChIKey is MLXROFZJOQKFLH-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-6(8)4-5-7(9)10-2/h1,6H,4-5,8H2,2H3/t6-/m0/s1.
What are the key properties of methyl (4R)-4-aminohex-5-ynoate?
methyl (4R)-4-aminohex-5-ynoate has a molecular weight of 141.17 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-aminohex-5-ynoate is sourced from PubChem (CID 88718815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).