methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate

C13H25N3O3 — CID 115301996

IUPACmethyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CN1CC[C@@H](N)C1
InChIInChI=1S/C13H25N3O3/c1-9(2)6-11(13(18)19-3)15-12(17)8-16-5-4-10(14)7-16/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t10-,11?/m1/s1
InChIKeyALNKWRVKUVKHSR-NFJWQWPMSA-N
MW271.36 g/mol
LogP-0.28
Rot. Bonds6

About methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate

methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate (PubChem CID 115301996) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
PubChem CID115301996
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Namemethyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CN1CC[C@@H](N)C1
InChIInChI=1S/C13H25N3O3/c1-9(2)6-11(13(18)19-3)15-12(17)8-16-5-4-10(14)7-16/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t10-,11?/m1/s1
InChIKeyALNKWRVKUVKHSR-NFJWQWPMSA-N
XLogP-0.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 107225603
methyl 2-[[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 79411094
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 81491720
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
CID 81492736
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
CID 531445
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102977545
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate (CID 115301996) is methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)CN1CC[C@@H](N)C1.
What is the InChIKey of methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate?
The InChIKey is ALNKWRVKUVKHSR-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)6-11(13(18)19-3)15-12(17)8-16-5-4-10(14)7-16/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t10-,11?/m1/s1.
What are the key properties of methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate?
methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate has a molecular weight of 271.36 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 115301996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).