trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid

C9H13NO4 — CID 67859907

IUPACtrans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1C[C@H]([C@H](N)C(=O)O)[C@@H](C(=O)O)C1
InChIInChI=1S/C9H13NO4/c1-4-2-5(7(10)9(13)14)6(3-4)8(11)12/h5-7H,1-3,10H2,(H,11,12)(H,13,14)/t5-,6-,7-/m0/s1
InChIKeyKHLMWBMRPCZUQQ-ACZMJKKPSA-N
MW199.21 g/mol
LogP0.07
Rot. Bonds3

About trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid

trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid (PubChem CID 67859907) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid
PubChem CID67859907
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Nametrans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1C[C@H]([C@H](N)C(=O)O)[C@@H](C(=O)O)C1
InChIInChI=1S/C9H13NO4/c1-4-2-5(7(10)9(13)14)6(3-4)8(11)12/h5-7H,1-3,10H2,(H,11,12)(H,13,14)/t5-,6-,7-/m0/s1
InChIKeyKHLMWBMRPCZUQQ-ACZMJKKPSA-N
XLogP0.07
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid (CID 67859907) is trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid is C=C1C[C@H]([C@H](N)C(=O)O)[C@@H](C(=O)O)C1.
What is the InChIKey of trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid?
The InChIKey is KHLMWBMRPCZUQQ-ACZMJKKPSA-N. The full InChI is InChI=1S/C9H13NO4/c1-4-2-5(7(10)9(13)14)6(3-4)8(11)12/h5-7H,1-3,10H2,(H,11,12)(H,13,14)/t5-,6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid?
trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]-4-methylidenecyclopentane-1-carboxylic acid is sourced from PubChem (CID 67859907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).