N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide

C10H19N3O2 — CID 66567586

IUPACN-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN1C(=O)[C@H](C)N
InChIInChI=1S/C10H19N3O2/c1-7(11)10(15)13-5-3-4-9(13)6-12-8(2)14/h7,9H,3-6,11H2,1-2H3,(H,12,14)/t7-,9-/m0/s1
InChIKeyRBOCYKJHNQUKSK-CBAPKCEASA-N
MW213.28 g/mol
LogP-0.54
Rot. Bonds3

About N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide

N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 66567586) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID66567586
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN1C(=O)[C@H](C)N
InChIInChI=1S/C10H19N3O2/c1-7(11)10(15)13-5-3-4-9(13)6-12-8(2)14/h7,9H,3-6,11H2,1-2H3,(H,12,14)/t7-,9-/m0/s1
InChIKeyRBOCYKJHNQUKSK-CBAPKCEASA-N
XLogP-0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 99703865
(2R)-2-amino-1-[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 99703866
2-amino-1-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 86814757
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
2-[1-[(2S)-2-aminopropanoyl]piperidin-2-yl]acetamide;hydrochloride
CID 119307888
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide (CID 66567586) is N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN1C(=O)[C@H](C)N.
What is the InChIKey of N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is RBOCYKJHNQUKSK-CBAPKCEASA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(11)10(15)13-5-3-4-9(13)6-12-8(2)14/h7,9H,3-6,11H2,1-2H3,(H,12,14)/t7-,9-/m0/s1.
What are the key properties of N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide?
N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 213.28 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 66567586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).