(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate

C6H14N4O2 — CID 175062264

IUPAC(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)ON=C(N)N
InChIInChI=1S/C6H14N4O2/c1-3(2)4(7)5(11)12-10-6(8)9/h3-4H,7H2,1-2H3,(H4,8,9,10)/t4-/m0/s1
InChIKeyGHHHOQYJDVPGKC-BYPYZUCNSA-N
MW174.20 g/mol
LogP-1.30
Rot. Bonds3

About (diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate

(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate (PubChem CID 175062264) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate
PubChem CID175062264
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)ON=C(N)N
InChIInChI=1S/C6H14N4O2/c1-3(2)4(7)5(11)12-10-6(8)9/h3-4H,7H2,1-2H3,(H4,8,9,10)/t4-/m0/s1
InChIKeyGHHHOQYJDVPGKC-BYPYZUCNSA-N
XLogP-1.30
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino (2R)-2-amino-3-methylbutanoate
CID 135308017
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
iodo 2-amino-3-methylbutanoate
CID 76549706
2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
CID 156731483
(diaminomethylideneamino) 2,2,3-trimethylbutanoate
CID 140539809
CID 162314144
CID 162314144
1-iodoethyl 2-amino-3-methylbutanoate
CID 122533786
iodomethyl (2S)-2-amino-3-methylbutanoate
CID 141352500
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid
CID 54208799
methyl 2-(diaminomethylideneamino)oxypropanoate
CID 23036880

Frequently Asked Questions

What is the IUPAC name of (diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate?
The IUPAC name of (diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate (CID 175062264) is (diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for (diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for (diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)ON=C(N)N.
What is the InChIKey of (diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate?
The InChIKey is GHHHOQYJDVPGKC-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-3(2)4(7)5(11)12-10-6(8)9/h3-4H,7H2,1-2H3,(H4,8,9,10)/t4-/m0/s1.
What are the key properties of (diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate?
(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate has a molecular weight of 174.20 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 175062264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).