(2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid

C9H19N5O4 — CID 57324197

IUPAC(2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid
SMILESCN(CC(=O)O)[C@](N)(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C9H19N5O4/c1-14(5-6(15)16)9(12,7(17)18)3-2-4-13-8(10)11/h2-5,12H2,1H3,(H,15,16)(H,17,18)(H4,10,11,13)/t9-/m1/s1
InChIKeyYIDRGHBCTQOZIP-SECBINFHSA-N
MW261.28 g/mol
LogP-2.20
Rot. Bonds8

About (2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid

(2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 57324197) has the molecular formula C9H19N5O4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid
PubChem CID57324197
Molecular FormulaC9H19N5O4
Molecular Weight261.28 g/mol
Exact Mass261.14
IUPAC Name(2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid
SMILESCN(CC(=O)O)[C@](N)(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C9H19N5O4/c1-14(5-6(15)16)9(12,7(17)18)3-2-4-13-8(10)11/h2-5,12H2,1H3,(H,15,16)(H,17,18)(H4,10,11,13)/t9-/m1/s1
InChIKeyYIDRGHBCTQOZIP-SECBINFHSA-N
XLogP-2.20
TPSA168.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
CID 144859243
2-amino-2-[3-(diaminomethylideneamino)propyl]-3-hydroxy-3-methylbutanedioic acid
CID 172565564
(2S)-5-(diaminomethylideneamino)-2-[methyl-[(oxo-λ5-phosphanylidyne)methyl]amino]-2-[(oxo-λ5-phosphanylidyne)methyl]pentanoic acid
CID 141183167
(2R)-2-amino-2-[3-(diaminomethylideneamino)propyl]-3-oxoheptanoic acid
CID 175056196
(2R)-2-amino-2-[3-(diaminomethylideneamino)propyl]-4-ethyl-3-oxooctanoic acid
CID 149437110
(2S)-2-[bis(1-phosphonoprop-2-enyl)amino]-5-(diaminomethylideneamino)-2-methylpentanoic acid
CID 87494090
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
CID 151285535
amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate
CID 140586428
(2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid
CID 57242518
2-[(N'-dodecylcarbamimidoyl)-methylamino]acetic acid
CID 87453757
2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine
CID 167242341
9-bromononanoic acid;9-(diaminomethylideneamino)nonanoic acid
CID 158146578

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of (2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid (CID 57324197) is (2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for (2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for (2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid is CN(CC(=O)O)[C@](N)(CCCN=C(N)N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is YIDRGHBCTQOZIP-SECBINFHSA-N. The full InChI is InChI=1S/C9H19N5O4/c1-14(5-6(15)16)9(12,7(17)18)3-2-4-13-8(10)11/h2-5,12H2,1H3,(H,15,16)(H,17,18)(H4,10,11,13)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid?
(2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 261.28 g/mol, XLogP of -2.20, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 57324197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).