2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide

C16H27N5O3 — CID 133135088

IUPAC2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide
SMILESCC(C)[C@@H]1CN(Cc2nccn2C)C[C@H]1NC(=O)COCC(N)=O
InChIInChI=1S/C16H27N5O3/c1-11(2)12-6-21(8-15-18-4-5-20(15)3)7-13(12)19-16(23)10-24-9-14(17)22/h4-5,11-13H,6-10H2,1-3H3,(H2,17,22)(H,19,23)/t12-,13+/m0/s1
InChIKeyDLTDPWCXPXGCOQ-QWHCGFSZSA-N
MW337.42 g/mol
LogP-0.51
Rot. Bonds8

About 2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide

2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide (PubChem CID 133135088) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide
PubChem CID133135088
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide
SMILESCC(C)[C@@H]1CN(Cc2nccn2C)C[C@H]1NC(=O)COCC(N)=O
InChIInChI=1S/C16H27N5O3/c1-11(2)12-6-21(8-15-18-4-5-20(15)3)7-13(12)19-16(23)10-24-9-14(17)22/h4-5,11-13H,6-10H2,1-3H3,(H2,17,22)(H,19,23)/t12-,13+/m0/s1
InChIKeyDLTDPWCXPXGCOQ-QWHCGFSZSA-N
XLogP-0.51
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868060
N-{(3R*,4S*)-1-[3-(dimethylamino)-2-pyrazinyl]-4-isopropyl-3-pyrrolidinyl}-2-methoxy-2-methylpropanamide
CID 72838243
4-(1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]butanamide dihydrochloride
CID 72848179
2-[2-[[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide
CID 72855409
3-(2-methyl-1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]propanamide dihydrochloride
CID 72904742
(4aR,7aR)-4-(cyclopentylmethyl)-6-[(1-methylimidazol-2-yl)methyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97508900
1,1-Dimethyl-3-[8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739795
N-[(3R*,4S*)-4-cyclopropyl-1-(methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide
CID 72842071
(3R*,4S*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-4-propylpyrrolidin-3-amine
CID 72852353
N-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)acetamide
CID 77086954
2-(3-methylbutoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772181
2-methyl-N-[2-(1-methyl-1H-imidazol-2-yl)ethyl]tetrahydrofuran-2-carboxamide
CID 91785623

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide?
The IUPAC name of 2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide (CID 133135088) is 2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide.
What is the SMILES notation for 2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide?
The canonical SMILES for 2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide is CC(C)[C@@H]1CN(Cc2nccn2C)C[C@H]1NC(=O)COCC(N)=O.
What is the InChIKey of 2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide?
The InChIKey is DLTDPWCXPXGCOQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-11(2)12-6-21(8-15-18-4-5-20(15)3)7-13(12)19-16(23)10-24-9-14(17)22/h4-5,11-13H,6-10H2,1-3H3,(H2,17,22)(H,19,23)/t12-,13+/m0/s1.
What are the key properties of 2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide?
2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide has a molecular weight of 337.42 g/mol, XLogP of -0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide is sourced from PubChem (CID 133135088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).