(2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid

C11H16N2O5 — CID 162924096

IUPAC(2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid
SMILESC=C1C[C@@H]1[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-5-4-6(5)9(11(17)18)13-8(14)3-2-7(12)10(15)16/h6-7,9H,1-4,12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-,9-/m0/s1
InChIKeyGYLYZVSBBQFIGV-ZKWXMUAHSA-N
MW256.26 g/mol
LogP-0.68
Rot. Bonds7

About (2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid (PubChem CID 162924096) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid
PubChem CID162924096
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid
SMILESC=C1C[C@@H]1[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-5-4-6(5)9(11(17)18)13-8(14)3-2-7(12)10(15)16/h6-7,9H,1-4,12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-,9-/m0/s1
InChIKeyGYLYZVSBBQFIGV-ZKWXMUAHSA-N
XLogP-0.68
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid (CID 162924096) is (2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid is C=C1C[C@@H]1[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid?
The InChIKey is GYLYZVSBBQFIGV-ZKWXMUAHSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-5-4-6(5)9(11(17)18)13-8(14)3-2-7(12)10(15)16/h6-7,9H,1-4,12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-,9-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.68, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(S)-carboxy-[(1S)-2-methylidenecyclopropyl]methyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 162924096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).