5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid

C10H18N2O3S — CID 88940226

IUPAC5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid
SMILESN[C@H]1[C@@H](NC=O)CS[C@H]1CCCCC(=O)O
InChIInChI=1S/C10H18N2O3S/c11-10-7(12-6-13)5-16-8(10)3-1-2-4-9(14)15/h6-8,10H,1-5,11H2,(H,12,13)(H,14,15)/t7-,8-,10-/m0/s1
InChIKeyZMOUALPVDPHBLD-NRPADANISA-N
MW246.33 g/mol
LogP0.19
Rot. Bonds7

About 5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid

5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid (PubChem CID 88940226) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid
PubChem CID88940226
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid
SMILESN[C@H]1[C@@H](NC=O)CS[C@H]1CCCCC(=O)O
InChIInChI=1S/C10H18N2O3S/c11-10-7(12-6-13)5-16-8(10)3-1-2-4-9(14)15/h6-8,10H,1-5,11H2,(H,12,13)(H,14,15)/t7-,8-,10-/m0/s1
InChIKeyZMOUALPVDPHBLD-NRPADANISA-N
XLogP0.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2S,3S,4R)-3-amino-4-(15N)azanylthiolan-2-yl]pentanoic acid
CID 10104842
methyl 5-(4-amino-3-formamidothiolan-2-yl)pentanoate
CID 146764067
5-[(2R,3R,4R)-3,4-bis(methoxycarbonylamino)thiolan-2-yl]pentanoic acid
CID 11891190
ethane;N-[(3R,4S)-4-(methylamino)-2-(5-methylhex-5-enyl)thiolan-3-yl]formamide
CID 144831522
5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide
CID 121263431
5-[(2S,3S,4S)-4-benzamido-3-hydroxythiolan-2-yl]pentanoic acid
CID 26434661
5-[(2R,3R,4S)-4-acetamido-3-butylthiolan-2-yl]pentanoic acid
CID 118288095
5-(3-acetamido-4-methylthiolan-2-yl)pentanoic acid
CID 90446603
5-(1,3,5-trithian-2-yl)pentanoic acid
CID 131698885
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;2-aminoacetic acid
CID 135305544
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-(3,4-diaminothiolan-2-yl)pentanamide
CID 70828633
5-[(3aS,4S,6aR)-2-(2-aminoethoxyamino)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
CID 170901953

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid?
The IUPAC name of 5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid (CID 88940226) is 5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid.
What is the SMILES notation for 5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid?
The canonical SMILES for 5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid is N[C@H]1[C@@H](NC=O)CS[C@H]1CCCCC(=O)O.
What is the InChIKey of 5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid?
The InChIKey is ZMOUALPVDPHBLD-NRPADANISA-N. The full InChI is InChI=1S/C10H18N2O3S/c11-10-7(12-6-13)5-16-8(10)3-1-2-4-9(14)15/h6-8,10H,1-5,11H2,(H,12,13)(H,14,15)/t7-,8-,10-/m0/s1.
What are the key properties of 5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid?
5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid has a molecular weight of 246.33 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid is sourced from PubChem (CID 88940226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).