N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide

C8H15N3O2 — CID 127008848

IUPACN-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)[C@@H](C)N)C1
InChIInChI=1S/C8H15N3O2/c1-5(9)8(13)11-3-7(4-11)10-6(2)12/h5,7H,3-4,9H2,1-2H3,(H,10,12)/t5-/m1/s1
InChIKeyGITISVQXNIRLNS-RXMQYKEDSA-N
MW185.23 g/mol
LogP-1.32
Rot. Bonds2

About N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide

N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide (PubChem CID 127008848) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide
PubChem CID127008848
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)[C@@H](C)N)C1
InChIInChI=1S/C8H15N3O2/c1-5(9)8(13)11-3-7(4-11)10-6(2)12/h5,7H,3-4,9H2,1-2H3,(H,10,12)/t5-/m1/s1
InChIKeyGITISVQXNIRLNS-RXMQYKEDSA-N
XLogP-1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
N-(1-methanidylazetidin-3-yl)acetamide
CID 59822088
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
N-[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]acetamide
CID 54872010
N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide
CID 113402254
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415
N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide
CID 130770058
N-[1-(6-amino-2-methylheptanoyl)piperidin-3-yl]acetamide
CID 65292227

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide?
The IUPAC name of N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide (CID 127008848) is N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide is CC(=O)NC1CN(C(=O)[C@@H](C)N)C1.
What is the InChIKey of N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide?
The InChIKey is GITISVQXNIRLNS-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(9)8(13)11-3-7(4-11)10-6(2)12/h5,7H,3-4,9H2,1-2H3,(H,10,12)/t5-/m1/s1.
What are the key properties of N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide?
N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide has a molecular weight of 185.23 g/mol, XLogP of -1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 127008848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).