(2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C14H27N3O3 — CID 56703245

IUPAC(2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCCCOCC(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C14H27N3O3/c1-4-5-6-20-9-13(18)17-8-11(15)7-12(17)14(19)16-10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyGYEABRSNMFJRJL-RYUDHWBXSA-N
MW285.39 g/mol
LogP0.26
Rot. Bonds7

About (2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56703245) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56703245
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCCCOCC(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C14H27N3O3/c1-4-5-6-20-9-13(18)17-8-11(15)7-12(17)14(19)16-10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyGYEABRSNMFJRJL-RYUDHWBXSA-N
XLogP0.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidin-2-yl-(1,4,7-trioxa-10-aza-cyclododec-10-yl)-methanone
CID 3095254
2-ethoxy-N-(5-oxopyrrolidin-3-yl)acetamide
CID 71789093
N-(2-Methoxyethyl)-5-oxo-1-(piperidin-4-YL)pyrrolidine-2-carboxamide
CID 86820482
Ethyl (s)-prolylglycinate
CID 10397890
(2S,4R)-4-amino-N,N-diethyl-1-(methoxyacetyl)pyrrolidine-2-carboxamide
CID 56706730
(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
CID 56707334
(2S)-N-(1-methoxy-2-methylpropan-2-yl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 164638664
(2S)-N-cyclopropyl-1-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 164639476
(2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide
CID 70966982
N-[2-(4-morpholinyl)ethyl]-2-pyrrolidinecarboxamide
CID 17908651
4-(Pyrrolidin-2-ylcarbonyl)morpholine
CID 6421035
(4S)-4-amino-N-methyl-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]-L-prolinamide
CID 56705962

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56703245) is (2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide is CCCCOCC(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C.
What is the InChIKey of (2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is GYEABRSNMFJRJL-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-5-6-20-9-13(18)17-8-11(15)7-12(17)14(19)16-10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,19)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(2-butoxyacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56703245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).