methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate

C9H17N3O3 — CID 165430524

IUPACmethyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)N1CC[C@H](N)C1
InChIInChI=1S/C9H17N3O3/c1-15-8(13)2-4-11-9(14)12-5-3-7(10)6-12/h7H,2-6,10H2,1H3,(H,11,14)/t7-/m0/s1
InChIKeyDVHGNVBDGXDUDQ-ZETCQYMHSA-N
MW215.25 g/mol
LogP-0.71
Rot. Bonds3

About methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate

methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate (PubChem CID 165430524) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate
PubChem CID165430524
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Namemethyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)N1CC[C@H](N)C1
InChIInChI=1S/C9H17N3O3/c1-15-8(13)2-4-11-9(14)12-5-3-7(10)6-12/h7H,2-6,10H2,1H3,(H,11,14)/t7-/m0/s1
InChIKeyDVHGNVBDGXDUDQ-ZETCQYMHSA-N
XLogP-0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate
CID 73402042
methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate
CID 165430514
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031772
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 131911189
methyl 3-[[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carbonyl]amino]propanoate
CID 53194516
4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81069884
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate (CID 165430524) is methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate is COC(=O)CCNC(=O)N1CC[C@H](N)C1.
What is the InChIKey of methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate?
The InChIKey is DVHGNVBDGXDUDQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-15-8(13)2-4-11-9(14)12-5-3-7(10)6-12/h7H,2-6,10H2,1H3,(H,11,14)/t7-/m0/s1.
What are the key properties of methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate?
methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate has a molecular weight of 215.25 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 165430524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).