(2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide

C18H23N5O2 — CID 152752799

IUPAC(2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide
SMILESNC(=O)[C@@](N)(CCCN=C(N)N)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H23N5O2/c19-16(25)18(22,8-3-9-23-17(20)21)15(24)11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10H,3,8-9,11,22H2,(H2,19,25)(H4,20,21,23)/t18-/m1/s1
InChIKeyYWQASTGHBMPEGR-GOSISDBHSA-N
MW341.42 g/mol
LogP0.19
Rot. Bonds8

About (2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide

(2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide (PubChem CID 152752799) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide
PubChem CID152752799
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide
SMILESNC(=O)[C@@](N)(CCCN=C(N)N)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H23N5O2/c19-16(25)18(22,8-3-9-23-17(20)21)15(24)11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10H,3,8-9,11,22H2,(H2,19,25)(H4,20,21,23)/t18-/m1/s1
InChIKeyYWQASTGHBMPEGR-GOSISDBHSA-N
XLogP0.19
TPSA150.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-5-(diaminomethylideneamino)-2-(naphthalene-2-carbonyl)pentanamide
CID 57091873
2-amino-2-(naphthalen-2-ylmethyl)-3-oxohexanamide;hydrochloride
CID 174453601
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
sodium 2-naphthalen-2-ylacetate
CID 23688045
dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine
CID 6331948
5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174579623
(2R)-5-(diaminomethylideneamino)-N-naphthalen-1-yl-2-(naphthalen-2-ylmethylamino)pentanamide
CID 101159513
2-[5-(naphthalen-2-ylmethyl)hept-6-enyl]guanidine
CID 177001574
benzyl (2R)-2-amino-2-benzoyl-5-(diaminomethylideneamino)pentanoate
CID 57149974
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 175731663
2-[3-[(2S,5R)-5-benzyl-4-(2-naphthalen-2-ylacetyl)-1-[(2-phenylphenyl)methyl]piperazin-2-yl]propyl]guanidine
CID 12000914
CID 173442082
CID 173442082

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide?
The IUPAC name of (2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide (CID 152752799) is (2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide?
The canonical SMILES for (2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide is NC(=O)[C@@](N)(CCCN=C(N)N)C(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide?
The InChIKey is YWQASTGHBMPEGR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-16(25)18(22,8-3-9-23-17(20)21)15(24)11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10H,3,8-9,11,22H2,(H2,19,25)(H4,20,21,23)/t18-/m1/s1.
What are the key properties of (2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide?
(2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide has a molecular weight of 341.42 g/mol, XLogP of 0.19, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-(diaminomethylideneamino)-2-(2-naphthalen-2-ylacetyl)pentanamide is sourced from PubChem (CID 152752799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).