methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate

C11H20N2O3 — CID 61165277

IUPACmethyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H20N2O3/c1-3-7-13(8-10(14)16-2)11(15)9-5-4-6-12-9/h9,12H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySFPGZSRLCGELRO-VIFPVBQESA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds5

About methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate

methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate (PubChem CID 61165277) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
PubChem CID61165277
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H20N2O3/c1-3-7-13(8-10(14)16-2)11(15)9-5-4-6-12-9/h9,12H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySFPGZSRLCGELRO-VIFPVBQESA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide
CID 64563638
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate
CID 54871877
2-[2-methoxyethyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869714
N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
CID 64564571
methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 93373232
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate (CID 61165277) is methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate is CCCN(CC(=O)OC)C(=O)[C@@H]1CCCN1.
What is the InChIKey of methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is SFPGZSRLCGELRO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-7-13(8-10(14)16-2)11(15)9-5-4-6-12-9/h9,12H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 228.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 61165277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).