(2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid

C10H20N2O4 — CID 18652655

IUPAC(2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid
SMILESCC(C)(C[C@@](N)(CCCN)C(=O)O)OC=O
InChIInChI=1S/C10H20N2O4/c1-9(2,16-7-13)6-10(12,8(14)15)4-3-5-11/h7H,3-6,11-12H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyZRPUEOGLEHVLSY-JTQLQIEISA-N
MW232.28 g/mol
LogP-0.15
Rot. Bonds8

About (2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid

(2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid (PubChem CID 18652655) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid
PubChem CID18652655
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid
SMILESCC(C)(C[C@@](N)(CCCN)C(=O)O)OC=O
InChIInChI=1S/C10H20N2O4/c1-9(2,16-7-13)6-10(12,8(14)15)4-3-5-11/h7H,3-6,11-12H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyZRPUEOGLEHVLSY-JTQLQIEISA-N
XLogP-0.15
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride
CID 14231035
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
6-aminohexanoic acid;tert-butyl formate;methanamine
CID 145067135
2,6-diamino-2-methylhexanoic acid
CID 3017540
2,8-diamino-2-methyloctanoic acid
CID 87814639
(2R)-6-amino-2-formamido-2-[(2-methylpropan-2-yl)oxy]hexanoic acid
CID 175586992
2,4-diamino-2-(methoxymethyl)butanoic acid
CID 19800437
(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid
CID 57018880
2-amino-2-pent-4-enylhept-6-enoic acid
CID 87318887
2-amino-2-octadecylicosanoic acid
CID 18935913
(2S)-2-amino-2-methyldec-9-enoic acid;(2R)-2-amino-2-methyldec-9-enoic acid;(2S)-2-amino-2-methylhept-6-enoic acid;(2R)-2-amino-2-methylhept-6-enoic acid;2-amino-2-pent-4-enylhept-6-enoic acid;methane
CID 167617525
2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 19969154

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid?
The IUPAC name of (2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid (CID 18652655) is (2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid is CC(C)(C[C@@](N)(CCCN)C(=O)O)OC=O.
What is the InChIKey of (2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid?
The InChIKey is ZRPUEOGLEHVLSY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O4/c1-9(2,16-7-13)6-10(12,8(14)15)4-3-5-11/h7H,3-6,11-12H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid?
(2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-aminopropyl)-4-formyloxy-4-methylpentanoic acid is sourced from PubChem (CID 18652655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).