methyl (2R)-2-(cyclopropylmethylamino)butanoate

C9H17NO2 — CID 67121985

IUPACmethyl (2R)-2-(cyclopropylmethylamino)butanoate
SMILESCC[C@@H](NCC1CC1)C(=O)OC
InChIInChI=1S/C9H17NO2/c1-3-8(9(11)12-2)10-6-7-4-5-7/h7-8,10H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyMXZMQCJVRISDSC-MRVPVSSYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds5

About methyl (2R)-2-(cyclopropylmethylamino)butanoate

methyl (2R)-2-(cyclopropylmethylamino)butanoate (PubChem CID 67121985) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl (2R)-2-(cyclopropylmethylamino)butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(cyclopropylmethylamino)butanoate
PubChem CID67121985
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl (2R)-2-(cyclopropylmethylamino)butanoate
SMILESCC[C@@H](NCC1CC1)C(=O)OC
InChIInChI=1S/C9H17NO2/c1-3-8(9(11)12-2)10-6-7-4-5-7/h7-8,10H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyMXZMQCJVRISDSC-MRVPVSSYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl 2-(oxan-3-ylmethylamino)butanoate
CID 115353202
2-[(4-ethylcyclohexyl)methylamino]butanamide
CID 62901748
methyl 2-(cyclopropylmethylamino)-3-methylpentanoate
CID 43732464
methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate
CID 119709040
methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate
CID 115352329
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
CID 106024172
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
methyl 2-(thian-4-ylmethylamino)hexanoate
CID 103868467
2-[(3-hydroxycyclopentyl)methylamino]butanamide
CID 106129414
methyl 2-(5-azaspiro[2.4]heptan-7-ylmethylamino)butanoate
CID 165456972

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(cyclopropylmethylamino)butanoate?
The IUPAC name of methyl (2R)-2-(cyclopropylmethylamino)butanoate (CID 67121985) is methyl (2R)-2-(cyclopropylmethylamino)butanoate.
What is the SMILES notation for methyl (2R)-2-(cyclopropylmethylamino)butanoate?
The canonical SMILES for methyl (2R)-2-(cyclopropylmethylamino)butanoate is CC[C@@H](NCC1CC1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-(cyclopropylmethylamino)butanoate?
The InChIKey is MXZMQCJVRISDSC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-8(9(11)12-2)10-6-7-4-5-7/h7-8,10H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-(cyclopropylmethylamino)butanoate?
methyl (2R)-2-(cyclopropylmethylamino)butanoate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(cyclopropylmethylamino)butanoate is sourced from PubChem (CID 67121985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).