butan-2-yl 2-(cyclopropylamino)acetate

C9H17NO2 — CID 60903182

IUPACbutan-2-yl 2-(cyclopropylamino)acetate
SMILESCCC(C)OC(=O)CNC1CC1
InChIInChI=1S/C9H17NO2/c1-3-7(2)12-9(11)6-10-8-4-5-8/h7-8,10H,3-6H2,1-2H3
InChIKeyRLYYXBTVRKNMHX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds5

About butan-2-yl 2-(cyclopropylamino)acetate

butan-2-yl 2-(cyclopropylamino)acetate (PubChem CID 60903182) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is butan-2-yl 2-(cyclopropylamino)acetate.

Molecular Properties

Compound Namebutan-2-yl 2-(cyclopropylamino)acetate
PubChem CID60903182
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namebutan-2-yl 2-(cyclopropylamino)acetate
SMILESCCC(C)OC(=O)CNC1CC1
InChIInChI=1S/C9H17NO2/c1-3-7(2)12-9(11)6-10-8-4-5-8/h7-8,10H,3-6H2,1-2H3
InChIKeyRLYYXBTVRKNMHX-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxypropan-2-yl 2-(cyclopropylamino)acetate
CID 103488994
1-ethoxypropan-2-yl 2-(cyclopentylamino)acetate
CID 103489239
octan-2-yl 2-(cyclopentylamino)acetate
CID 61303088
propan-2-yl 2-(thian-4-ylamino)acetate
CID 115627172
1-O-[(2R)-butan-2-yl] 4-O-[(2S)-butan-2-yl] butanedioate
CID 92854984
(2S,3S)-2-[[2-(cyclopropylamino)acetyl]amino]-3-methylpentanoic acid
CID 61172077
2-(cyclopropylamino)-N-(2-methylpentan-3-yl)acetamide
CID 61470431
dibutan-2-yl 2-oxobutanedioate
CID 90921286
N-(2-butan-2-yloxypropyl)cyclopropanamine
CID 62453628
butan-2-yl propanoate;sulfur dioxide
CID 159892772
dibutan-2-yl octanedioate
CID 593779
1-O-[(2R)-butan-2-yl] 9-O-[(2S)-butan-2-yl] nonanedioate
CID 92532862

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(cyclopropylamino)acetate?
The IUPAC name of butan-2-yl 2-(cyclopropylamino)acetate (CID 60903182) is butan-2-yl 2-(cyclopropylamino)acetate.
What is the SMILES notation for butan-2-yl 2-(cyclopropylamino)acetate?
The canonical SMILES for butan-2-yl 2-(cyclopropylamino)acetate is CCC(C)OC(=O)CNC1CC1.
What is the InChIKey of butan-2-yl 2-(cyclopropylamino)acetate?
The InChIKey is RLYYXBTVRKNMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-7(2)12-9(11)6-10-8-4-5-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of butan-2-yl 2-(cyclopropylamino)acetate?
butan-2-yl 2-(cyclopropylamino)acetate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(cyclopropylamino)acetate is sourced from PubChem (CID 60903182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).