amino 2-amino-2-(pentan-3-ylamino)acetate

C7H17N3O2 — CID 89231913

IUPACamino 2-amino-2-(pentan-3-ylamino)acetate
SMILESCCC(CC)NC(N)C(=O)ON
InChIInChI=1S/C7H17N3O2/c1-3-5(4-2)10-6(8)7(11)12-9/h5-6,10H,3-4,8-9H2,1-2H3
InChIKeyVYDATHOGCGHWCI-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.53
Rot. Bonds5

About amino 2-amino-2-(pentan-3-ylamino)acetate

amino 2-amino-2-(pentan-3-ylamino)acetate (PubChem CID 89231913) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is amino 2-amino-2-(pentan-3-ylamino)acetate.

Molecular Properties

Compound Nameamino 2-amino-2-(pentan-3-ylamino)acetate
PubChem CID89231913
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Nameamino 2-amino-2-(pentan-3-ylamino)acetate
SMILESCCC(CC)NC(N)C(=O)ON
InChIInChI=1S/C7H17N3O2/c1-3-5(4-2)10-6(8)7(11)12-9/h5-6,10H,3-4,8-9H2,1-2H3
InChIKeyVYDATHOGCGHWCI-UHFFFAOYSA-N
XLogP-0.53
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino 2-ethoxypropanoate
CID 87914402
2-(pentan-3-ylamino)butanamide
CID 62899455
amino 2-(methylamino)butanoate
CID 89108976
[(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid
CID 87933519
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
N-[(2R)-2-acetamidobutyl]acetamide
CID 102008964
N-(2-acetamidobutyl)acetamide
CID 547374
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
1-(pentan-3-ylamino)ethanol
CID 18004281
4-acetamido-2-aminohexanoic acid
CID 139345088
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
amino pentan-3-yloxymethyl carbonate
CID 89015684

Frequently Asked Questions

What is the IUPAC name of amino 2-amino-2-(pentan-3-ylamino)acetate?
The IUPAC name of amino 2-amino-2-(pentan-3-ylamino)acetate (CID 89231913) is amino 2-amino-2-(pentan-3-ylamino)acetate.
What is the SMILES notation for amino 2-amino-2-(pentan-3-ylamino)acetate?
The canonical SMILES for amino 2-amino-2-(pentan-3-ylamino)acetate is CCC(CC)NC(N)C(=O)ON.
What is the InChIKey of amino 2-amino-2-(pentan-3-ylamino)acetate?
The InChIKey is VYDATHOGCGHWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-3-5(4-2)10-6(8)7(11)12-9/h5-6,10H,3-4,8-9H2,1-2H3.
What are the key properties of amino 2-amino-2-(pentan-3-ylamino)acetate?
amino 2-amino-2-(pentan-3-ylamino)acetate has a molecular weight of 175.23 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-amino-2-(pentan-3-ylamino)acetate is sourced from PubChem (CID 89231913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).