2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid

C9H13N5O4 — CID 95714732

IUPAC2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)Cn1cnnn1
InChIInChI=1S/C9H13N5O4/c15-8(4-13-6-10-11-12-13)14-1-2-18-5-7(14)3-9(16)17/h6-7H,1-5H2,(H,16,17)/t7-/m0/s1
InChIKeyDNHKLVQDQLCFHK-ZETCQYMHSA-N
MW255.23 g/mol
LogP-1.62
Rot. Bonds4

About 2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid

2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid (PubChem CID 95714732) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid
PubChem CID95714732
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)Cn1cnnn1
InChIInChI=1S/C9H13N5O4/c15-8(4-13-6-10-11-12-13)14-1-2-18-5-7(14)3-9(16)17/h6-7H,1-5H2,(H,16,17)/t7-/m0/s1
InChIKeyDNHKLVQDQLCFHK-ZETCQYMHSA-N
XLogP-1.62
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 94095786
2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetic acid
CID 95721739
2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid
CID 129381156
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
CID 129470037
2-[(3R)-4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholin-3-yl]acetic acid
CID 95711799
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
CID 106303808
2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 124751060
2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid (CID 95714732) is 2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid is O=C(O)C[C@H]1COCCN1C(=O)Cn1cnnn1.
What is the InChIKey of 2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid?
The InChIKey is DNHKLVQDQLCFHK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N5O4/c15-8(4-13-6-10-11-12-13)14-1-2-18-5-7(14)3-9(16)17/h6-7H,1-5H2,(H,16,17)/t7-/m0/s1.
What are the key properties of 2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid?
2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 95714732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).